(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; |
trans-phenylitaconic acid
A
(2S)-benzylsuccinic acid
B
(R)-2-benzylsuccinic acid
Conditions | Yield |
---|---|
With hydrogen; triethylamine; complex of Rh(COD)*BF4 and (4R,5R)-(+)-MOD-DIOP In methanol at 30℃; under 760 Torr; for 40h; | A 79 % Spectr. B n/a |
With hydrogen; triethylamine; <((R)-(1,1'-binaphthyl-2,2'-diyl)bis(diphenylphosphine))RuCl2>2NEt3 In tetrahydrofuran; ethanol at 35℃; under 1520 Torr; for 24h; RuHCl-bis<(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl>; Yield given. Yields of byproduct given. Title compound not separated from byproducts; | |
With <((R)-(1,1'-binaphthyl-2,2'-diyl)bis(diphenylphosphine))RuCl2>2NEt3; hydrogen; triethylamine In tetrahydrofuran; ethanol at 50℃; under 3800 Torr; for 24h; Title compound not separated from byproducts; | |
With hydrogen; triethylamine; hydridobis((R)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl)ruthenium, PF6 salt In tetrahydrofuran; ethanol at 50℃; under 2280 Torr; for 24h; Yield given. Title compound not separated from byproducts; | |
With RuCl2(C6F5CN)2((S)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl); hydrogen; triethylamine In tetrahydrofuran; ethanol at 50℃; under 3800 Torr; for 24h; Title compound not separated from byproducts; |
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With hydrogenchloride In acetic acid for 10h; Heating; |
(S)-3-benzyl-4-methoxy-4-oxobutanoic acid
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With sodium hydroxide In methanol |
diazomethane
methanol
(R)-3-Benzyl-pent-4-enenitrile
A
(2S)-benzylsuccinic acid
B
(R)-2-benzylsuccinic acid
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With formic acid; dihydrogen peroxide; ozone 1.) MeOH; Yield given. Multistep reaction; |
(S)-4-(tert-butoxy)-4-oxo-2-(1-phenylmethyl)butanoic acid
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at 0 - 20℃; | 0.34 g |
N,N'-fumaroyldi<(2R)-bornane-10,2-sultam>
benzylmagnesium chloride
A
(2S)-benzylsuccinic acid
B
(R)-2-benzylsuccinic acid
Conditions | Yield |
---|---|
Stage #1: N,N'-fumaroyldi<(2R)-bornane-10,2-sultam>; benzylmagnesium chloride In tetrahydrofuran; diethyl ether at -78℃; for 3h; Stage #2: With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran; water at 0℃; for 7h; Title compound not separated from byproducts; |
1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-3-phenylpropan-1-one
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: NaHMDS / tetrahydrofuran / 0.5 h / -78 °C 1.2: 92 percent / tetrahydrofuran; hexamethylphosphoric acid triamide / 20 h / -78 - 25 °C 2.1: 84 percent / aq. LiOH; aq. H2O2 / tetrahydrofuran / 0 - 20 °C 3.1: 0.34 g / trifluoroacetic acid / CH2Cl2 / 0 - 20 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: NaHMDS / tetrahydrofuran / 0.5 h / -78 °C 1.2: 92 percent / tetrahydrofuran; hexamethylphosphoric acid triamide / 20 h / -78 - 25 °C 2.1: 87 percent / trifluoroacetic acid / CH2Cl2 / 0 - 20 °C 3.1: 93 percent / aq. H2O2; LiOH*H2O / 13 h / 0 - 20 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: NaH / toluene; tetrahydrofuran / 1 h / 20 °C 1.2: 91 percent / tetrahydrofuran; toluene / 16 h 2.1: NaHMDS / tetrahydrofuran / 0.5 h / -78 °C 2.2: 92 percent / tetrahydrofuran; hexamethylphosphoric acid triamide / 20 h / -78 - 25 °C 3.1: 84 percent / aq. LiOH; aq. H2O2 / tetrahydrofuran / 0 - 20 °C 4.1: 0.34 g / trifluoroacetic acid / CH2Cl2 / 0 - 20 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: NaH / toluene; tetrahydrofuran / 1 h / 20 °C 1.2: 91 percent / tetrahydrofuran; toluene / 16 h 2.1: NaHMDS / tetrahydrofuran / 0.5 h / -78 °C 2.2: 92 percent / tetrahydrofuran; hexamethylphosphoric acid triamide / 20 h / -78 - 25 °C 3.1: 87 percent / trifluoroacetic acid / CH2Cl2 / 0 - 20 °C 4.1: 93 percent / aq. H2O2; LiOH*H2O / 13 h / 0 - 20 °C View Scheme | |
Multi-step reaction with 4 steps 1: triethylamine; dmap / dichloromethane / 2 h / 0 °C 2: lithium diisopropyl amide / tetrahydrofuran / 1 h / -70 - 20 °C 3: trifluoroacetic acid / dichloromethane / 48 h 4: dihydrogen peroxide; lithium hydroxide / tetrahydrofuran; water / 0 °C View Scheme |
1,1-dimethylethyl (3S)-4-[(3aS,6R,7aS)-8,8-dimethyl-2,2-dioxidotetrahydro-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-4-oxo-3-(phenylmethyl)butanoate
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 84 percent / aq. LiOH; aq. H2O2 / tetrahydrofuran / 0 - 20 °C 2: 0.34 g / trifluoroacetic acid / CH2Cl2 / 0 - 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: 87 percent / trifluoroacetic acid / CH2Cl2 / 0 - 20 °C 2: 93 percent / aq. H2O2; LiOH*H2O / 13 h / 0 - 20 °C View Scheme |
Z-methyl 4-(phenyl)-3-methoxycarbonylbut-3-enoate
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: NaOH / methanol / 12 h / Heating 2: 10 percent / H2; acetic acid / 10 percent Pd/C / 3 h / 75 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: t-BuOK / 2-methyl-propan-2-ol / Heating 2: NaOH / methanol / 12 h / Heating 3: 10 percent / H2; acetic acid / 10 percent Pd/C / 3 h / 75 °C View Scheme |
Benzyl (2S)-2-Benzyl-3-t-butoxycarbonyl Propionate
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 82 percent / TFA / CH2Cl2 / 1 h / Ambient temperature 2: 97 percent / H2 / Pd/C / methanol / 2 h / Ambient temperature View Scheme |
(5R)-(-)-(1'-oxo-3'-phenylpropyl)-5,3,3-trimethylpyrrolidin-2-one
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 79 percent / LDA / tetrahydrofuran / 1.) -78 deg C, 1 h, 2.) -78 deg C to r.t., overnight 2: 94 percent / BuLi / tetrahydrofuran / 1.) -78 deg C to 0 deg C, 10 min, 2.) 0 deg C, 1 h 3: 82 percent / TFA / CH2Cl2 / 1 h / Ambient temperature 4: 97 percent / H2 / Pd/C / methanol / 2 h / Ambient temperature View Scheme |
(S)-3-Benzyl-4-oxo-4-((R)-3,3,5-trimethyl-2-oxo-pyrrolidin-1-yl)-butyric acid tert-butyl ester
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 94 percent / BuLi / tetrahydrofuran / 1.) -78 deg C to 0 deg C, 10 min, 2.) 0 deg C, 1 h 2: 82 percent / TFA / CH2Cl2 / 1 h / Ambient temperature 3: 97 percent / H2 / Pd/C / methanol / 2 h / Ambient temperature View Scheme |
dimethyl 2-benzylsuccinate
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1) porcine pancrease lipase, 3) porcine pancrease lipase / 1) 0.1M KHPO4 buffer (pH = 7.2), 3) 0.1M KHPO4 buffer (pH = 7.2) 2: 1M NaOH / methanol View Scheme |
ethyl (R)-2-hydroxy-3-phenylpropanoate
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 8.7 percent / diethyl azodicarboxylate, triphenylphosphine / tetrahydrofuran / 2 h / Ambient temperature 2: conc. aq. HCl / acetic acid / 10 h / Heating View Scheme |
1,4-diethyl 2-benzylsuccinate
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: α-chymotrypsin, aq. NaOH 2: aq. NaOH / ethanol View Scheme |
(R)-4-benzyl-3-(3-phenyl-propionyl)-oxazolidin-2-one
(2S)-benzylsuccinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -70 - 20 °C 2: trifluoroacetic acid / dichloromethane / 48 h 3: dihydrogen peroxide; lithium hydroxide / tetrahydrofuran; water / 0 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: sodium methylate / methanol / 0.5 h / Large scale 1.2: Large scale 1.3: Large scale 2.1: Ru(OCOCH3)2{(S)-2,2'-bis(diphenylphosphino)-1,1'-dinaphthyl)}; hydrogen / methanol / 10 h / 50 °C / 760.05 Torr / Molecular sieve; Inert atmosphere; Large scale View Scheme |
cis-hexahydroisoindoline
(2S)-benzylsuccinic acid
mitiglinide
Conditions | Yield |
---|---|
Stage #1: (2S)-benzylsuccinic acid With 1H-imidazole; thionyl chloride; triethylamine In ethyl acetate at -10 - -5℃; for 6h; Stage #2: cis-hexahydroisoindoline In ethyl acetate at 20℃; for 18h; | 87% |
2-(Trimethylsilyl)ethanol
(2S)-benzylsuccinic acid
(S)-2-Benzyl-succinic acid bis-(2-trimethylsilanyl-ethyl) ester
Conditions | Yield |
---|---|
With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In dichloromethane |
Conditions | Yield |
---|---|
With thionyl chloride; triethylamine 1.) CH2Cl2, 0 deg C, 1 h, 2.) CH2Cl2, RT, overnight; Yield given. Multistep reaction; |
4-nitro-phenol
(2S)-benzylsuccinic acid
(S)-2-Benzyl-succinic acid bis-(4-nitro-phenyl) ester
Conditions | Yield |
---|---|
With thionyl chloride; triethylamine 1.) CH2Cl2, 0 deg C, 1 h, 2.) CH2Cl2, RT, overnight; Yield given. Multistep reaction; |
endo-N-hydroxy-5-norbornene-2,3-dicarboxyimide
(2S)-benzylsuccinic acid
(S)-2-Benzyl-succinic acid 4-((1S,2R,6S,7R)-3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl) ester 1-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl) ester
Conditions | Yield |
---|---|
With thionyl chloride; triethylamine 1.) CH2Cl2, 0 deg C, 1 h, 2.) CH2Cl2, RT, overnight; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
With thionyl chloride; triethylamine 1.) CH2Cl2, 0 deg C, 1 h, 2.) CH2Cl2, RT, overnight; Yield given. Multistep reaction; |
(2S)-benzylsuccinic acid
(S)-2-benzyl-butan-1,4-diol
Conditions | Yield |
---|---|
With borane-THF |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid |
(2S)-benzylsuccinic acid
(S)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Conditions | Yield |
---|---|
With sulfuric acid at 20℃; for 8h; | |
With sulfuric acid In water at 60℃; for 0.333333h; |
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 .
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