(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid

Base Information

Chemical Name:(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid
CAS No.:261165-06-4
Molecular Formula:C₁₄H₁₈BrNO₄
Molecular Weight:344.205
Hs Code.:29223900
DSSTox Substance ID:DTXSID20370333
Wikidata:Q72448756
Mol file:261165-06-4.mol

Synonyms:261165-06-4;(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid;Boc-4-bromo-D-beta-phenylalanine;(3S)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;Boc-(S)-3-Amino-3-(4-bromo-phenyl)-propionic acid;(3S)-3-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid;Boc-(S)-3-amino-3-(4-bromophenyl)propionic acid;MFCD03419292;(S)-3-(BOC-AMINO)-3-(4-BROMOPHENYL)-PROPANOIC ACID;SCHEMBL3504563;(S)-Boc-4-bromo-ss-Phe-OH;DTXSID20370333;TQR0342;ZAMLGGRVTAXBHI-NSHDSACASA-N;Boc-beta-(S)-4-bromophenylalanine;Boc-D-Phg(4-Br)-(C#CH2)OH;(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid;AKOS013461739;CS-W009826;HY-W009110;Benzenepropanoic acid, 4-bromo-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-;AC-22019;DS-13128;PD196656;EN300-1071896;A818181;(S)-3-(4-Bromophenyl)-3-(BOC-amino)propanoic acid;(S)-Boc-4-bromo-beta-Phe-OH, >=98.0% (HPLC);(S)-3-(4-bromo-phenyl)-3-tert-butoxycarbonylamino-propionic acid;(3S)-3-(4-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid

Suppliers and Price of (S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid

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

Sigma-Aldrich
(S)-Boc-4-bromo-β-Phe-OH ≥98.0% (HPLC)
500 mg
$ 276.00

Sigma-Aldrich
(S)-Boc-4-bromo-β-Phe-OH ≥98.0% (HPLC)
500mg-f
$ 267.00

Crysdot
(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid 95+%
1g
$ 180.00

Crysdot
(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid 95+%
5g
$ 545.00

ChemScene
(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid 99.71%
25g
$ 1243.00

ChemScene
(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid 99.71%
10g
$ 541.00

ChemScene
(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid 99.71%
5g
$ 318.00

ChemScene
(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid 99.71%
1g
$ 107.00

ChemScene
(S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid 99.71%
250mg
$ 75.00

Chem-Impex
Boc-(S)-3-amino-3-(4-bromophenyl)propionicacid,≥99%(ChiralHPLC,HPLC) ≥99%(ChiralHPLC,HPLC)
250MG
$ 58.24

Total 30 raw suppliers

Chemical Property of (S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid

Chemical Property:

Appearance/Colour:white to off-white powder
Vapor Pressure:5.45E-10mmHg at 25°C
Melting Point:143.8 °C
Refractive Index:1.6500 (estimate)
Boiling Point:479.1°C at 760mmHg
PKA:4.27±0.10(Predicted)
Flash Point:243.6°C
PSA：75.63000
Density:1.403g/cm³
LogP:3.88050
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:343.04192
Heavy Atom Count:20
Complexity:346

Purity/Quality:

97% ^*data from raw suppliers

(S)-Boc-4-bromo-β-Phe-OH ≥98.0% (HPLC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid

There total 1 articles about (S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid 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: 99.99%

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

: 39773-47-2,295356-30-8
3-amino-3-(4'-bromophenyl)propanoic acid

: 282524-86-1,261165-06-4
3-(4-bromophenyl)-3-((tert-butoxycarbonyl)amino)propionic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h;

Reference yield: 95.0%

: 261165-06-4
(3S)-3-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid

: 1245606-63-6,845908-98-7
(S)-1-(4-bromophenyl)-3-methoxy-3-oxopropan-1-amine hydrochloride

Guidance literature:: With hydrogenchloride; In methanol; at 0 - 20 ℃; for 16h;

Reference yield:

: 261380-20-5,261165-06-4
(S)-4-(4-bromophenyl)-4-((tert-butoxycarbonyl)amino)-2-oxobutanoic acid

: C₁₈H₂₅BrN₂O₃

Guidance literature:: Multi-step reaction with 4 steps

1: potassium carbonate

2: trifluoroacetic acid / dichloromethane

3: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane; N,N-dimethyl-formamide / 20 °C

4: trifluoroacetic acid / dichloromethane / 20 °C

With potassium carbonate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1039/c3md00294b