问题：求救，请高人帮忙查个CA号
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提问：ftfget1
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时间：2006-03-06 14:54:21 编辑加入/取消收藏订制/取消短消息举报该贴

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[该帖子已被ftfget1在2006-3-14 11:33:29编辑过]

回复人：nakata,▲▲▲▲▲ () 时间：2006-03-06 15:46:14 编辑	1楼
591-81-1 4-Hydroxybutanoic acid 591-81-7 没有

回复人：ftfget1,▲ () 时间：2006-03-06 17:33:22 编辑	2楼
不能详细一点吗？帮帮忙发到邮箱里

回复人：ftfget1,▲ () 时间：2006-03-06 18:07:27 编辑	3楼
回答不详细，暂时无法给分，抱歉

回复人：wenchunlin,▲▲▲ (欢迎光临我的论坛http://www.happychem.com.cn/bbs) 时间：2006-03-06 18:59:57 编辑

4楼

Entry Name: 4-Hydroxybutanoic acid, 9CI
Chapman Hall Number: DBV60-E
CAS Registry Number: 591-81-1
Extra CAS Registry Numbers(s): 114-63-6
Related CAS Registry Numbers(s): 35054-79-6
Type of Compound Code(s): XA5730 XA4650
HOH2C(CH2)2COOH

Molecular Formula: C4H8O3
Molecular Weight: 104.105
Accurate Mass: 104.047345
Percentage Composition: C 46.15%; H 7.75%; O 46.11%
Physical Description: Liq. at 17
Dissociation Constant: pKa 4.71
Partition Coefficient (Calculated): Log P 1.16 (calc)
Other Data: Lactonises above 17
RTECS Accession Number: EK7877150

回复人：wenchunlin,▲▲▲ (欢迎光临我的论坛http://www.happychem.com.cn/bbs) 时间：2006-03-06 19:01:37 编辑	5楼
合成路线 Marvel, C.S. et al., J.A.C.S., 1929, 51, 260, (synth) 希望又点帮助！！！ http://free5.ys168.com/?WENCHUNLIN ACS 下面！！ [该帖子已被wenchunlin在2006-3-6 19:08:04编辑过]

回复人：ftfget1,▲ () 时间：2006-03-06 19:03:49 编辑

6楼

楼上的，能更详细一点吗？你说的好像我刚刚查到了，比你说的还全，不信你看

Entry Name: 4-Hydroxybutanoic acid, 9CI
Chapman Hall Number: DBV60-E
CAS Registry Number: 591-81-1
Extra CAS Registry Numbers(s): 114-63-6
Related CAS Registry Numbers(s): 35054-79-6
Type of Compound Code(s): XA5730 XA4650
HOH2C(CH2)2COOH

Molecular Formula: C4H8O3
Molecular Weight: 104.105
Accurate Mass: 104.047345
Percentage Composition: C 46.15%; H 7.75%; O 46.11%
Physical Description: Liq. at 17
Dissociation Constant: pKa 4.71
Partition Coefficient (Calculated): Log P 1.16 (calc)
Other Data: Lactonises above 17
RTECS Accession Number: EK7877150
RCB_CT,275925Derivative: Na salt
Synonym(s): Sodium oxybate. Anetamin. Gamanest. Gioron. Oxybate sodium. Somsanit. NSC 84223. WY 3478
Chapman Hall Number: DBV61-F
CAS Registry Number: 502-85-2
Biological Use/Importance: Adjunct to anaesthesia. Hypnotic. Putative neurotransmitter, low oral toxicity
Physical Description: Cryst. (EtOH)
Development Status: Approved by FDA (July 2002) for the treatment of cataplexy and narcolepsy
Melting Point: Mp 145-146
RTECS Accession Number: ET4750000
Aldrich: H2222-1
Fluka: 54970
Sigma:
RCB_CT,275926Derivative: Me ester
Chapman Hall Number: MLL50-Q
CAS Registry Number: 925-57-5
Molecular Formula: C5H10O3
Molecular Weight: 118.132
Accurate Mass: 118.062995
Percentage Composition: C 50.84%; H 8.53%; O 40.63%
Boiling Point: Bp0.5 45
RCB_CT,275927Derivative: Me ester, O--D-glucopyranoside
Chapman Hall Number: MCK65-I
Type of Compound Code(s): VA0350
Molecular Formula: C11H20O8
Molecular Weight: 280.274
Accurate Mass: 280.11582
Percentage Composition: C 47.14%; H 7.19%; O 45.67%
Biological Source: Constit. of the fruit of Anethum graveolens
Physical Description: Amorph. powder
Optical Rotation: []24D 19 (c, 0.4 in
RCB_CT,275928Derivative: Et ester
Chapman Hall Number: MLL51-R
CAS Registry Number: 999-10-0
Molecular Formula: C6H12O3
Molecular Weight: 132.159
Accurate Mass: 132.078645
Percentage Composition: C 54.53%; H 9.15%; O 36.32%
Boiling Point: Bp0.4 57-58. Bp15 99-103
RCB_CT,275929Derivative: Isopropyl ester
Chapman Hall Number: MLL52-S
Molecular Formula: C7H14O3
Molecular Weight: 146.186
Accurate Mass: 146.094295
Percentage Composition: C 57.51%; H 9.65%; O 32.83%
Boiling Point: Bp0.4 64
RCB_CT,275930Derivative: Amide
Chapman Hall Number: MLL55-V
CAS Registry Number: 927-60-6
Molecular Formula: C4H9NO2
Molecular Weight: 103.121
Accurate Mass: 103.063329
Percentage Composition: C 46.59%; H 8.80%; N 13.58%; O 31.03%
Melting Point: Mp 52
RCB_CT,275931Derivative: Methylamide
Chapman Hall Number: KYF98-X
Molecular Formula: C5H11NO2
Molecular Weight: 117.147
Accurate Mass: 117.078979
Percentage Composition: C 51.26%; H 9.46%; N 11.96%; O 27.31%
Physical Description: Cryst.
Melting Point: Mp 32-34
RCB_CT,275932Derivative: Nitrile
Synonym(s): 3-Cyano-1-propanol
Chapman Hall Number: DBV65-J
CAS Registry Number: 628-22-8
Molecular Formula: C4H7NO
Molecular Weight: 85.105
Accurate Mass: 85.052764
Percentage Composition: C 56.45%; H 8.29%; N 16.46%; O 18.80%
Boiling Point: Bp 238-240. Bp68 150-151. Bp30 140. Bp10 84-85
Rare Chemicals Library: S81538-
RCB_CT,275933Derivative: Lactone
see Dihydro-2(3H)-furanone, CXH55-B
Chapman Hall Number: DBV58-
RCB_CT,275934Derivative: Ac
Synonym(s): 4-Acetoxybutanoic acid. Aceburic acid, INN
Chapman Hall Number: DBV62-G
CAS Registry Number: 26976-72-7
Type of Compound Code(s): XA0650
Molecular Formula: C6H10O4
Molecular Weight: 146.143
Accurate Mass: 146.05791
Percentage Composition: C 49.31%; H 6.90%; O 43.79%
Biological Use/Importance: Analgesic
Boiling Point: Bp0.1 102
Solubility: Sol. H2O
Refractive Index: n21D 1.3375
Partition Coefficient (Calculated): Log P 0.22
RCB_CT,275935Derivative: Ac, Me ester
Chapman Hall Number: MLL53-T
CAS Registry Number: 25560-92-3
Molecular Formula: C7H12O4
Molecular Weight: 160.169
Accurate Mass: 160.07356
Percentage Composition: C 52.49%; H 7.55%; O 39.96%
Boiling Point: Bp23 105-110
RCB_CT,275936Derivative: Ac, Et ester
Chapman Hall Number: MLL54-U
CAS Registry Number: 25560-91-2
Molecular Formula: C8H14O4
Molecular Weight: 174.196
Accurate Mass: 174.08921
Percentage Composition: C 55.16%; H 8.10%; O 36.74%
Boiling Point: Bp12 104-105
RCB_CT,275937Derivative: Ac, nitrile
Chapman Hall Number: DBV66-K
Molecular Formula: C6H9NO2
Molecular Weight: 127.143
Accurate Mass: 127.063329
Percentage Composition: C 56.68%; H 7.13%; N 11.02%; O 25.17%
Boiling Point: Bp 237
RCB_CT,275938Derivative: Benzoyl
Chapman Hall Number: DBV63-H
CAS Registry Number: 30436-10-3
Molecular Formula: C11H12O4
Molecular Weight: 208.213
Accurate Mass: 208.07356
Percentage Composition: C 63.45%; H 5.81%; O 30.74%
Boiling Point: Bp1 103-106
RCB_CT,275939Derivative: Me ether
Synonym(s): 4-Methoxybutanoic acid
Chapman Hall Number: DBV64-I
CAS Registry Number: 29006-02-8
Molecular Formula: C5H10O3
Molecular Weight: 118.132
Accurate Mass: 118.062995
Percentage Composition: C 50.84%; H 8.53%; O 40.63%
Boiling Point: Bp7 105-105.5
RCB_CT,275940Derivative: Me ether, Me ester
Chapman Hall Number: MLL56-W
CAS Registry Number: 29006-01-7
Molecular Formula: C6H12O3
Molecular Weight: 132.159
Accurate Mass: 132.078645
Percentage Composition: C 54.53%; H 9.15%; O 36.32%
Boiling Point: Bp 162-163. Bp100 103-104
Aldrich: 45650-
RCB_CT,275941Derivative: Me ether, Et ester
Chapman Hall Number: MLL57-X
CAS Registry Number: 69243-09-0
Molecular Formula: C7H14O3
Molecular Weight: 146.186
Accurate Mass: 146.094295
Percentage Composition: C 57.51%; H 9.65%; O 32.83%
Boiling Point: Bp15 75-76
RCB_CT,275942Derivative: Et ether, Me ester
Chapman Hall Number: MLL58-Y
CAS Registry Number: 29006-04-0
Molecular Formula: C7H14O3
Molecular Weight: 146.186
Accurate Mass: 146.094295
Percentage Composition: C 57.51%; H 9.65%; O 32.83%
Boiling Point: Bp 175.5
RCB_CT,275943Derivative: Et ether, Et ester
Chapman Hall Number: MLL59-Z
CAS Registry Number: 26448-91-9
Molecular Formula: C8H16O3
Molecular Weight: 160.213
Accurate Mass: 160.109945
Percentage Composition: C 59.98%; H 10.07%; O 29.96%
Boiling Point: Bp 183-186. Bp12 74
References:
Aldrich Library of FT-IR Spectra, 1st edn., 1985, 1, 549C, (ir)
Aldrich Library of 13C and 1H FT NMR Spectra, 1992, 1, 855A, (nmr)
Marvel, C.S. et al., J.A.C.S., 1929, 51, 260, (synth)
Palomaa, M.H. et al., Ber., 1931, 64, 797, (ether)
Zamarlik, H., C. R. Hebd. Seances Acad. Sci. Ser. C, 1969, 269, 1403, (deriv)
Snead, O.C., Life Sci., 1977, 20, 1935, (rev, pharmacol)
Muyard, J.P. et al., Psychopharmacology (N.Y.), 1977, 2, 1339, (rev, pharmacol)
Goto, G. et al., Chem. Pharm. Bull., 1985, 33, 4422, (synth)
King, S.A., J.O.C., 1994, 59, 2253, (synth, ethers)
Wilk, A. et al., J.O.C., 1999, 64, 7515-7522, (methylamide, synth, pmr, cmr)
Ishikawa, T. et al., Chem. Pharm. Bull., 2002, 50, 501-507, (Me ester glucoside, isol)
Borgen, L.A. et al., Pharmacotherapy (Carlisle, Mass.), 2002, 22, 798-799, (Na salt, pharmacol)
Sleep (N.Y.), 2002, 25, 42-47, (Na salt, pharmacol)
Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, HJS500

回复人：ftfget1,▲ () 时间：2006-03-06 19:14:10 编辑	7楼
非常感谢！！

回复人：ftfget1,▲ () 时间：2006-03-14 11:32:58 编辑	8楼
羟基丁酸钠，麻醉药啊，不是这个

得分人：wenchunlin-3,

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