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CAS No.: | 3972-36-9 |
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Name: | (S)-2-Benzylsuccinic acid |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C11H12O4 |
Molecular Weight: | 208.214 |
Synonyms: | s-2-benzylsuccinic acid;Butanedioicacid, (phenylmethyl)-, (2S)- (9CI);Butanedioic acid, (phenylmethyl)-, (S)-;(-)-Benzylsuccinic acid;(S)-Benzylsuccinic acid;2(S)-Benzyl-3-carboxypropionic acid;L-(-)-Benzylsuccinic acid; |
EINECS: | 609-742-5 |
Density: | 1.29 g/cm3 |
Melting Point: | 164.0 to 168.0 °C |
Boiling Point: | 331.4 °C at 760 mmHg |
Flash Point: | 168.4 °C |
PSA: | 74.60000 |
LogP: | 1.40460 |
(S)-3-benzyl-4-((R)-4-benzyl-2-oxooxazolidin-3-yl)-4-oxobutanoic acid
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide; lithium hydroxide In tetrahydrofuran; water at 0℃; | 100% |
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With sodium hydroxide In water | 98.8% |
phenylmethyl 3-carboxy-2(S)-(phenylmethyl)-1-propanoate
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol for 2h; Ambient temperature; | 97% |
(Z)-2-benzylidenesuccinic acid
A
(2S)-benzylsuccinic acid
B
(R)-2-benzylsuccinic acid
Conditions | Yield |
---|---|
With hydrogen; triethylamine; Ru2Cl4((R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl)2 In tetrahydrofuran; toluene at 35℃; under 2206.5 Torr; for 24h; op = 90percent, var. cat. RuHCl*2<(+)-BINAP>; Title compound not separated from byproducts; | A 94% B n/a |
(3S)-4-[(3aS,6R,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoic acid
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With lithium hydroxide; dihydrogen peroxide at 0 - 20℃; for 13h; | 93% |
Conditions | Yield |
---|---|
With Ru(OCOCH3)2{(S)-2,2'-bis(diphenylphosphino)-1,1'-dinaphthyl)}; hydrogen In methanol at 50℃; under 760.051 Torr; for 10h; Molecular sieve; Inert atmosphere; Large scale; | 81% |
(Z)-2-benzylidenesuccinic acid
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With hydrogen; acetic acid; palladium on activated charcoal at 75℃; for 3h; | 10% |
2-benzylsuccinic acid
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With (R)-1-phenyl-ethyl-amine |
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol |
trans-phenylitaconic acid
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With formic acid; CF3SO3; triethylamine In dimethyl sulfoxide at 44.9℃; Rate constant; | |
With hydrogen; chloro(1,5-cyclooctadiene)rhodium(I) dimer; (2S,4S)-4-(Diphenylphosphino)-2-<(diphenylphosphino)-methyl>-N-phenoxycarbonylpyrrolidine In methanol; benzene at 20℃; under 760 Torr; for 4h; |
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Following is the structure of Butanedioicacid, 2-(phenylmethyl)-, (2S)- , hydrochloride (1:1) (CAS NO.3972-36-9):
Empirical Formula: C11H12O4
Molecular Weight: 208.2106
Index of Refraction: 1.567
Molar Refractivity: 52.78 cm3
Molar Volume: 161.3 cm3
Density: 1.29 g/cm3
Flash Point: 168.4 °C
Surface Tension: 57.3 dyne/cm
Enthalpy of Vaporization: 60.6 kJ/mol
Boiling Point: 331.4 °C at 760 mmHg
Vapour Pressure of Butanedioicacid, 2-(phenylmethyl)-, (2S)- , hydrochloride (1:1) (CAS NO.3972-36-9): 6.23E-05 mmHg at 25 °C
Product Categories of Butanedioicacid, 2-(phenylmethyl)-, (2S)- , hydrochloride (1:1) (CAS NO.3972-36-9): Pharmaceutical material and intermeidates; Acids and Derivatives; APIs Intermediate
SMILES: O=C(O)C[C@@H](C(=O)O)Cc1ccccc1
InChI: InChI=1/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKey: GTOFKXZQQDSVFH-VIFPVBQEBD
Butanedioicacid, 2-(phenylmethyl)-, (2S)- , its cas register number 3972-36-9. It also can be called (S)-2-Benzylsuccinic acid .