N-[(Benzyloxy)carbonyl]-3-fluoro-D-alanine

Base Information

Chemical Name:N-[(Benzyloxy)carbonyl]-3-fluoro-D-alanine
CAS No.:36369-37-6
Molecular Formula:C11H12FNO4
Molecular Weight:241.219
Hs Code.:
DSSTox Substance ID:DTXSID00509765
Wikidata:Q82367612
Mol file:36369-37-6.mol

Synonyms:36369-37-6;N-[(Benzyloxy)carbonyl]-3-fluoro-D-alanine;D-Alanine, 3-fluoro-N-[(phenylmethoxy)carbonyl]-;(S)-2-(((Benzyloxy)carbonyl)amino)-3-fluoropropanoic acid;(2S)-2-{[(benzyloxy)carbonyl]amino}-3-fluoropropanoic acid;SCHEMBL11243309;DTXSID00509765;E85237;EN300-7037207;(2S)-3-fluoro-2-(phenylmethoxycarbonylamino)propanoic acid;(S)-2-(((Benzyloxy)carbonyl)amino)-3-fluoropropanoicacid

Suppliers and Price of N-[(Benzyloxy)carbonyl]-3-fluoro-D-alanine

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

Total 6 raw suppliers

Chemical Property of N-[(Benzyloxy)carbonyl]-3-fluoro-D-alanine

Chemical Property:

PSA：75.63000
LogP:1.72640
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:241.07503603
Heavy Atom Count:17
Complexity:266

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of N-[(Benzyloxy)carbonyl]-3-fluoro-D-alanine

There total 3 articles about N-[(Benzyloxy)carbonyl]-3-fluoro-D-alanine 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: 99.0%

: 918409-10-6
(4S)-4-fluoromethyl-5-oxo-oxazolidine-3-carboxylic acid benzyl ester

: 36369-37-6
(2S)-2-benzyloxycarbonylamino-3-fluoropropionic acid

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; at 60 ℃; for 24h;
DOI:10.1021/ol062434q

Reference yield: 54.0%

: (S)-2-(N-benzyloxycarbonyl)amino-3-fluoro-1-propanol

: 36369-37-6
(2S)-2-benzyloxycarbonylamino-3-fluoropropionic acid

Guidance literature:: With ruthenium(IV) oxide; sodium periodate; In acetone; for 2h; Ambient temperature;
DOI:10.1016/S0957-4166(97)00334-0

Reference yield:

: 918409-08-2
(4R)-4-(tert-butyl-dimethyl-silanyloxymethyl)-5-oxo-oxazolidine-3-carboxylic acid benzyl ester

: 36369-37-6
(2S)-2-benzyloxycarbonylamino-3-fluoropropionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 71 percent / HF-pyridine; bis(2-methoxyethyl)aminosulfur trifluoride / CH₂Cl₂ / 0 - 20 °C

2: 99 percent / HCl / dioxane / 24 h / 60 °C

With hydrogenchloride; pyridine hydrogenfluoride; (bis-(2-methoxyethyl)amino)sulfur trufluoride; In 1,4-dioxane; dichloromethane;
DOI:10.1021/ol062434q