(S)-N-Boc-2-Bromophenylalanine

Base Information

Chemical Name:(S)-N-Boc-2-Bromophenylalanine
CAS No.:261165-02-0
Molecular Formula:C₁₄H₁₈BrNO₄
Molecular Weight:344.205
Hs Code.:29223900
European Community (EC) Number:863-147-7
DSSTox Substance ID:DTXSID30370324
Wikidata:Q72448760
Mol file:261165-02-0.mol

Synonyms:261165-02-0;Boc-L-2-Bromophenylalanine;Boc-2-bromo-L-phenylalanine;BOC-PHE(2-BR)-OH;(S)-N-Boc-2-Bromophenylalanine;(2S)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;N-Boc-2-bromo-L-phenylalanine;(S)-3-(2-Bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid;Boc-D-2-Bromophenylalanine;L-Phenylalanine, 2-bromo-N-[(1,1-dimethylethoxy)carbonyl]-;MFCD01317709;N-TERT-BUTOXYCARBONYL-L-2-BROMO PHENYLALANINE;SCHEMBL3560344;DTXSID30370324;AKOS015836660;AKOS015890059;AC-9631;AM82702;CS-W009287;DS-16136;A5182;Boc-Phe(2-Br)-OH, >=98.0% (HPLC);EN300-311854;2-Bromo-N-(tert-butoxycarbonyl)-L-phenylalanine;(S)-3-(2-bromophenyl)-2-(tert-butoxycarbonyl)propanoic acid;(2S)-3-(2-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid;(S)-3-(2-BROMOPHENYL)-2-(TERT-BUTOXYCARBONYLAMINO)PROPANOIC ACID

Suppliers and Price of (S)-N-Boc-2-Bromophenylalanine

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

Usbiological
Boc-2-bromo-L-phenylalanine
500mg
$ 333.00

TRC
Boc-L-2-Bromophenylalanine
10mg
$ 45.00

Sigma-Aldrich
Boc-Phe(2-Br)-OH ≥98.0% (HPLC)
500mg
$ 86.70

Matrix Scientific
Boc-2-bromo-L-phenylalanine
1g
$ 268.00

Matrix Scientific
Boc-2-bromo-L-phenylalanine
5g
$ 977.00

Crysdot
Boc-Phe(2-Br)-OH 97%
500g
$ 431.00

chempep
Boc-Phe(2-Br)-OH
25g
$ 780.00

chempep
Boc-Phe(2-Br)-OH
5g
$ 260.00

Chem-Impex
Boc-2-bromo-L-phenylalanine,99% 99%
5G
$ 324.80

Chem-Impex
Boc-2-bromo-L-phenylalanine,99% 99%
1G
$ 67.20

Total 66 raw suppliers

Chemical Property of (S)-N-Boc-2-Bromophenylalanine

Chemical Property:

Appearance/Colour:pale yellow crystalline powder
Vapor Pressure:1.1E-09mmHg at 25°C
Melting Point:142.1 °C
Refractive Index:1.6500 (estimate)
Boiling Point:471.3 °C at 760 mmHg
PKA:3.83±0.11(Predicted)
Flash Point:238.8 °C
PSA：75.63000
Density:1.405 g/cm³
LogP:3.36040
Storage Temp.:Store at 0°C
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:343.04192
Heavy Atom Count:20
Complexity:354

Purity/Quality:

99% ^*data from raw suppliers

Boc-2-bromo-L-phenylalanine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC=CC=C1Br)C(=O)O
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1Br)C(=O)O

Technology Process of (S)-N-Boc-2-Bromophenylalanine

There total 1 articles about (S)-N-Boc-2-Bromophenylalanine 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:

: 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

: 1991-79-3
2-amino-3-(2-bromophenyl)propanoic acid

: 261165-02-0
3-(2-bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid

Guidance literature:: With triethylamine; In 1,4-dioxane; water; at 20 ℃; Inert atmosphere;
DOI:10.1002/cmdc.201600248

Reference yield:

: 261165-02-0
(S)-2-((tert-butoxycarbonyl)amino)-3-(2-bromophenyl)propanoic acid

: (S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate

: 51987-73-6
(S)-2-tert-butoxycarbonylamino-3-phenyl-propionic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / N,N-dimethyl-formamide / 12 h / 20 °C / Inert atmosphere

2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate / 1,4-dioxane / 3 h / 85 °C / Inert atmosphere

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; sodium hydrogencarbonate; In 1,4-dioxane; N,N-dimethyl-formamide; 2: Miyaura borylation;
DOI:10.1021/jo202105v

Reference yield:

: 261165-02-0
3-(2-bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid

: S-phenethyl 2-amino-3-(2-bromophenyl)propanethioate hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 0 - 20 °C / Inert atmosphere

2: hydrogenchloride / 1,4-dioxane / 20 °C / Inert atmosphere

With hydrogenchloride; dmap; dicyclohexyl-carbodiimide; In 1,4-dioxane; dichloromethane;
DOI:10.1002/cmdc.201600248