Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-dimethyl ester

Base Information

Chemical Name:Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-dimethyl ester
CAS No.:921600-22-8
Molecular Formula:C13H17NO4
Molecular Weight:251.282
Hs Code.:
DSSTox Substance ID:DTXSID40468564
Nikkaji Number:J2.239.723K
Wikidata:Q82295821

Synonyms:921600-22-8;Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-dimethyl ester;DTXSID40468564

Suppliers and Price of Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-dimethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-dimethyl ester

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:251.11575802
Heavy Atom Count:18
Complexity:271

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)NC(C(=O)OC)C(=O)OC
Isomeric SMILES:C[C@@H](C1=CC=CC=C1)NC(C(=O)OC)C(=O)OC

Technology Process of Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-dimethyl ester

There total 1 articles about Propanedioic acid, 2-[[(1S)-1-phenylethyl]amino]-, 1,3-dimethyl ester 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:

: 67-56-1
methanol

: diethyl (S)-(α-methylbenzyl)aminomalonate

: 921600-22-8
dimethyl (1'S)-(1'-methyl)benzylaminomalonate

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; for 3h; Heating;
DOI:10.1271/bbb.69.1892

Reference yield: 99.0%

: 921600-22-8
dimethyl (1'S)-(1'-methyl)benzylaminomalonate

: 106-93-4
ethylene dibromide

: 921600-20-6
dimethyl (1'S)-1-(1'-methyl)benzylazetidine-2,2-dicarboxylate

: C₃₀H₃₈N₂O₈

Guidance literature:: With caesium carbonate; In N,N-dimethyl-formamide; at 20 - 40 ℃; for 36h;
DOI:10.1271/bbb.69.1892

Reference yield:

: 921600-22-8
dimethyl (1'S)-(1'-methyl)benzylaminomalonate

: 204274-33-9,210883-78-6
(2S,1'S)-1-(1'-methyl)benzylazetidine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 99 percent / cesium carbonate / dimethylformamide / 36 h / 20 - 40 °C

2: lithium chloride; 2,6-di-tert-butyl-4-methylphenol; molecular sieves 3 Angstroem / dimethylsulfoxide / 3 h / 20 - 140 °C

3: lithium diisopropylamide / hexane; tetrahydrofuran / 2 h / -78 °C

4: 100 percent / water; Candida antarctica lipase B / 2 h / 40 °C

With Candida antarctica lipase B; 2,6-di-tert-butyl-4-methyl-phenol; 3 A molecular sieve; water; caesium carbonate; lithium chloride; lithium diisopropyl amide; In tetrahydrofuran; hexane; dimethyl sulfoxide; N,N-dimethyl-formamide; 2: Krapcho dealkoxycarbonylation;
DOI:10.1271/bbb.69.1892