(R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate

Base Information

Chemical Name:(R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate
CAS No.:837430-11-2
Molecular Formula:C15H19 F2 N O4
Molecular Weight:315.317
Hs Code.:2924299090
DSSTox Substance ID:DTXSID20460329
Wikidata:Q82284342
Mol file:837430-11-2.mol

Synonyms:837430-11-2;(R)-METHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-3-(2,5-DIFLUOROPHENYL)PROPANOATE;Methyl (2R)-3-(2,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;SCHEMBL269301;methyl (R)-2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate;DTXSID20460329;DARKPXOKYWMLBE-GFCCVEGCSA-N;Methyl N-(tert-butoxycarbonyl)-2,5-difluoro-D-phenylalaninate;(R)-2-tert-Butoxycarbonylamino-3-(2,5-difluorophenyl)-propionic acid methyl ester

Suppliers and Price of (R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate

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

Crysdot
(R)-Methyl2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate 97%
1g
$ 489.00

American Custom Chemicals Corporation
METHYL-(2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(2,5-DIFLUOROPHENYL)PROPANOATE 95.00%
5MG
$ 502.91

American Custom Chemicals Corporation
METHYL-(2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(2,5-DIFLUOROPHENYL)PROPANOATE 95.00%
0.25G
$ 563.00

Alichem
(R)-Methyl2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate
1g
$ 541.84

Alichem
(R)-Methyl2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate
250mg
$ 226.72

Total 6 raw suppliers

Chemical Property of (R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate

Chemical Property:

Boiling Point:404.7±45.0 °C(Predicted)
PKA:10.79±0.46(Predicted)
PSA：64.63000
Density:1.201±0.06 g/cm3(Predicted)
LogP:2.96450
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:315.12821441
Heavy Atom Count:22
Complexity:398

Purity/Quality:

98% ^*data from raw suppliers

(R)-Methyl2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate 97% ^*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(CC1=C(C=CC(=C1)F)F)C(=O)OC
Isomeric SMILES:CC(C)(C)OC(=O)N[C@H](CC1=C(C=CC(=C1)F)F)C(=O)OC

Technology Process of (R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate

There total 4 articles about (R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoate 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:

: 923601-71-2
2-tert-butoxycarbonylamino-3-(2,5-difluorophenyl)-acrylic acid methyl ester

: 837430-11-2
(R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine methyl ester

Guidance literature:: With hydrogen; (Z,Z)-cycloocta-1,5-diene(R,R-1,2-bis(2,5-diethylphospholanyl)benzene)rhodium(I) tetrafluoroborate; In methanol; for 20h; under 3878.71 Torr;

Reference yield:

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

: 837430-10-1
(2R,5S)-2,5-dihydro-3,6-dimethoxy-2-[(2',5'-difluorophenyl)methyl]-5-isopropylpyrazine

: 837430-11-2
(R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine methyl ester

Guidance literature:: (2R,5S)-2,5-dihydro-3,6-dimethoxy-2-[(2',5'-difluorophenyl)methyl]-5-isopropylpyrazine; With hydrogenchloride; In acetonitrile; at 20 ℃; for 16h;

di-tert-butyl dicarbonate; With triethylamine; In dichloromethane; at 20 ℃; for 6h;
DOI:10.1021/jm0493156

Reference yield:

: 85117-99-3
2-(bromomethyl)-1,4-difluorobenzene

: 837430-11-2
(R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran / 0.33 h / -78 °C

1.2: 75 percent / tetrahydrofuran / 3.5 h / -78 °C

2.1: aq. HCl / acetonitrile / 16 h / 20 °C

2.2: 18.7 g / triethylamine / CH₂Cl₂ / 6 h / 20 °C

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; acetonitrile;
DOI:10.1021/jm0493156