(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonate

Base Information Edit

Chemical Name:(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonate
CAS No.:109687-66-3
Molecular Formula:C₁₅H₂₃NO₅S
Molecular Weight:329.417
Hs Code.:2924299090
DSSTox Substance ID:DTXSID20435092
Nikkaji Number:J1.544.737K
Wikidata:Q82249784
Mol file:109687-66-3.mol

Synonyms:109687-66-3;(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonate;[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate;(2S)-2-({[(1,1-diMethylethyl)oxy]carbonyl}aMino)-3-phenylpropyl Methanesulfonate;SCHEMBL272610;DTXSID20435092;(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropylmethanesulfonate;(S)-2-(tert-butoxycarbonylamino)-3-phenylpropymethanesulfonate;AKOS015999525;A894981;(S)-2-(BOC-amino)-3-phenylpropyl methanesulfonate;(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl methanesulfonate;Methanesulfonic acid (S)-2-tert-butoxycarbonylamino-3-phenyl-propyl ester;N-[(S)-alpha-(Methylsulfonyloxymethyl)phenethyl]carbamic acid tert-butyl ester

Suppliers and Price of (S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonate

Supply Marketing:Edit

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 11 raw suppliers

Chemical Property of (S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonate Edit

Chemical Property:

Melting Point:116-117 °C (decomp)
Boiling Point:511.8±50.0 °C(Predicted)
PKA:11.62±0.46(Predicted)
PSA：90.08000
Density:1.185±0.06 g/cm3(Predicted)
LogP:3.57030
Storage Temp.:2-8°C
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:329.12969401
Heavy Atom Count:22
Complexity:444

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)COS(=O)(=O)C
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)COS(=O)(=O)C

Technology Process of (S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonate

There total 15 articles about (S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl methanesulfonate 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: 100.0%

: 66605-57-0
(S)-N-tert-butoxycarbonyl-2-amino-3-phenylpropanol

: 124-63-0
methanesulfonyl chloride

: 126301-19-7,134807-64-0,109687-66-3
(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl methanesulfonate

Guidance literature:: With triethylamine; In dichloromethane; at 0 ℃; for 0.33h;
DOI:10.1021/jo00226a007

Reference yield: 70.0%

: 66605-57-0
(S)-N-tert-butoxycarbonyl-2-amino-3-phenylpropanol

: 7143-01-3
Methanesulfonic anhydride

: 126301-19-7,134807-64-0,109687-66-3
(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl methanesulfonate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 3h;

Reference yield:

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

: 126301-19-7,134807-64-0,109687-66-3
(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl methanesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran / Ambient temperature

2: TEA / CH₂Cl₂ / Ambient temperature

With TEA; In tetrahydrofuran; dichloromethane;