Methyl N-boc-3-chloro-L-alaninate

Base Information

Chemical Name:Methyl N-boc-3-chloro-L-alaninate
CAS No.:651035-84-6
Molecular Formula:C9H16ClNO4
Molecular Weight:237.683
Hs Code.:2924199090
DSSTox Substance ID:DTXSID60479475
Wikidata:Q82313543
Mol file:651035-84-6.mol

Synonyms:651035-84-6;METHYL N-BOC-3-CHLORO-L-ALANINATE;Boc-Ser(cl)-Ome;(R)-methyl 2-((tert-butoxycarbonyl)amino)-3-chloropropanoate;3-Chloro-N-[(tert-butyloxy)carbonyl]-L-alanine Methyl Ester;methyl (2R)-3-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;SCHEMBL10080535;DTXSID60479475;VAUXVOGTPPDPQC-LURJTMIESA-N;AMY41496;BBB03584;CS-B0402;MFCD09261409;AKOS015909715;N-Boc-3-chloro-L-alanine methyl ester;CS-14062;EN300-7151379;A834973;methyl N-(tert-butoxycarbonyl)-3-chloro-L-alaninate;Methyl 2-((tert-butoxycarbonyl)amino)-3-chloropropanoate;methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-chloropropanoate;METHYL (2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-CHLOROPROPANOATE;(R)-2-tert-Butoxycarbonylamino-3-chloro-propionic acid methyl ester (Boc-L-Ala(3-Cl)-OMe)

Suppliers and Price of Methyl N-boc-3-chloro-L-alaninate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Chloro-N-[(tert-butyloxy)carbonyl]-L-alanineMethylEster
1g
$ 1100.00

Crysdot
Boc-Ser(cl)-Ome 97%
1g
$ 377.00

ChemScene
(R)-Methyl2-((tert-butoxycarbonyl)amino)-3-chloropropanoate >98.0%
1g
$ 154.00

AstaTech
METHYLN-BOC-3-CHLORO-L-ALANINATE 95%
0.25 / G
$ 145.00

AstaTech
METHYLN-BOC-3-CHLORO-L-ALANINATE 95%
1 / G
$ 365.00

AstaTech
METHYLN-BOC-3-CHLORO-L-ALANINATE 95%
5 / G
$ 995.00

American Custom Chemicals Corporation
(R)-2-TERT-BUTOXYCARBONYLAMINO-3-CHLORO-PROPIONIC ACID METHYL ESTER 95.00%
0.5G
$ 283.30

AK Scientific
MethylN-Boc-3-chloro-L-alaninate
250mg
$ 512.00

Activate Scientific
N-Boc-3-chloro-L-alanine methyl ester 95% ee
5 g
$ 1159.00

Activate Scientific
N-Boc-3-chloro-L-alanine methyl ester 95% ee
1 g
$ 379.00

Total 16 raw suppliers

Chemical Property of Methyl N-boc-3-chloro-L-alaninate

Chemical Property:

Vapor Pressure:0.000302mmHg at 25°C
Melting Point:62-64 °C
Refractive Index:1.456
Boiling Point:321.2 °C at 760 mmHg
PKA:10.44±0.46(Predicted)
Flash Point:148.1 °C
PSA：64.63000
Density:1.161 g/cm³
LogP:1.68240
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:237.0767857
Heavy Atom Count:15
Complexity:237

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-N-[(tert-butyloxy)carbonyl]-L-alanineMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CCl)C(=O)OC
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)OC
Uses 3-Chloro-N-[(tert-butyloxy)carbonyl]-L-alanine Methyl Ester is a reactant enantiomerically pure amino acid derivatives.

Technology Process of Methyl N-boc-3-chloro-L-alaninate

There total 3 articles about Methyl N-boc-3-chloro-L-alaninate 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: 98.5%

: 24424-99-5
di-tert-butyl dicarbonate

: 17136-54-8
Methyl (2R)-2-amino-3-chloropropionate hydrochloride

: 651035-84-6
2-(R)-tert-butoxycarbonylamino-3-chloro-propionic acid methyl ester

Guidance literature:: With triethylamine;
DOI:10.1021/jm960772z

Reference yield: 84.0%

: 2766-43-0
N-tert-butyloxycarbonyl-L-serine methyl ester

: 651035-84-6
2-(R)-tert-butoxycarbonylamino-3-chloro-propionic acid methyl ester

Guidance literature:: With hexachloroethane; triphenylphosphine; In dichloromethane; at 20 ℃; for 2h;
DOI:10.1021/ol0360039 DOI:10.1016/j.tet.2004.10.097

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 651035-84-6
2-(R)-tert-butoxycarbonylamino-3-chloro-propionic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: AcCl

1.2: 100 percent / Et₃N

2.1: 84 percent / Ph₃P; hexachloroethane / CH₂Cl₂ / 2 h / 20 °C

With hexachloroethane; acetyl chloride; triphenylphosphine; In dichloromethane;
DOI:10.1021/ol0360039