(3S)-rel-N-Benzyl-3-benzylamino-D-aspartic acid

Base Information

• Chemical Name: (3S)-rel-N-Benzyl-3-benzylamino-D-aspartic acid
• CAS No.: 53079-45-1
• Molecular Formula: C₁₈H₂₀N₂O₄
• Molecular Weight: 328.368
• European Community (EC) Number: 259-736-8
• NSC Number: 679576
• DSSTox Substance ID: DTXSID10610876
• Nikkaji Number: J29.647C
• ChEMBL ID: CHEMBL1999612
• Mol file: 53079-45-1.mol

Synonyms:55645-40-4;2,3-bis(benzylamino)butanedioic acid;(3S)-rel-N-Benzyl-3-benzylamino-D-aspartic acid;2,3-Bis(benzylamino)succinic acid;NSC679576;erythro-N-Benzyl-3-(benzylamino)aspartic acid;meso-2,3-Bis(benzylamino)succinic acid;SCHEMBL5085491;CHEMBL1999612;DTXSID10610876;FZEXWQSUEVTZEC-UHFFFAOYSA-N;EINECS 259-736-8;NSC-679576;53079-45-1;NCI60_028484;N-Benzyl-3-(benzylamino)-L-aspartic acid;FT-0624660;D-Aspartic acid, N-(phenylmethyl)-3-((phenylmethyl)amino)-, (3S)-rel-

Chemical Property of (3S)-rel-N-Benzyl-3-benzylamino-D-aspartic acid

Chemical Property:

• XLogP3: -2.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 328.14230712
• Heavy Atom Count: 24
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(C(C(=O)O)NCC2=CC=CC=C2)C(=O)O

Technology Process of (3S)-rel-N-Benzyl-3-benzylamino-D-aspartic acid

There total 6 articles about (3S)-rel-N-Benzyl-3-benzylamino-D-aspartic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,3-dibromosuccinic acid (526-78-3,608-35-5,608-36-6,1114-00-7) + water (7732-18-5) + benzylamine (100-46-9) → racem-2,3-bis-benzylamino-succinic acid (53079-45-1,55645-40-4) + N,N'-dibenzyltartramide (88393-56-0,108321-43-3,123122-13-4)

Guidance literature:

at 100 ℃;

Reference yield:

ethanol (64-17-5) + 2,3-dibromosuccinic acid (526-78-3,608-35-5,608-36-6,1114-00-7) + benzylamine (100-46-9) → cis-2-bromobutenedioic acid (644-80-4) + racem-2,3-bis-benzylamino-succinic acid (53079-45-1,55645-40-4)

Guidance literature:

Reference yield:

2,3-dibromosuccinic acid (526-78-3,608-35-5,608-36-6,1114-00-7) + chloroform (67-66-3,8013-54-5) + benzylamine (100-46-9) → cis-2-bromobutenedioic acid (644-80-4) + racem-2,3-bis-benzylamino-succinic acid (53079-45-1,55645-40-4) + N,N'-dibenzyltartramide (88393-56-0,108321-43-3,123122-13-4)

Guidance literature:

upstream raw materials:

ethanol

2,3-dibromosuccinic acid

benzylamine

chloroform

Downstream raw materials:

(2S,3R)-3-aminoaspartic acid

racem.-2,3-diamino-succinic acid