(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Base Information

Chemical Name:(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CAS No.:16947-86-7
Molecular Formula:C15H22 N2 O6 S
Molecular Weight:358.415
Hs Code.:2935009090
DSSTox Substance ID:DTXSID80373183
Wikidata:Q82161344
Mol file:16947-86-7.mol

Synonyms:16947-86-7;Boc-(S)-3-amino-2-(p-toluenesulfonylamino)-propionic acid;Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid;(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-methylphenylsulfonamido)propanoic acid;(S)-BOC-3-AMINO-2-(P-TOLUENESULFONYLAMINO)-PROPIONIC ACID;DTXSID80373183;VXGVRMMCUXPRFO-LBPRGKRZSA-N;MFCD04112669;AKOS015911614;L-Alanine,3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(4-methylphenyl)sulfonyl]-;3-[(tert-Butoxycarbonyl)amino]-N-(4-methylbenzene-1-sulfonyl)-L-alanine;(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-methylphenylsulfonamido)propanoicacid;(S)-3-(tert-butoxycarbonylamino)-2-(4-methylphenylsulfonamido)propanoic acid;Boc-(S)-3-Amino-2-(p-toluenesulfonylamino)propionic acid (Tos-Dap(Boc)-OH)

Suppliers and Price of (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]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

Crysdot
(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-methylphenylsulfonamido)propanoicacid 95+%
1g
$ 321.00

Biosynth Carbosynth
Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid
1 g
$ 297.90

Biosynth Carbosynth
Boc-(S)-3-amino-2-(p-toluenesulfonylamino)propionic acid
250 mg
$ 115.00

American Custom Chemicals Corporation
BOC-(S)-3-AMINO-2-(PARA-TOLUENESULFONYLAMINO)-PROPIONIC ACID 98.00%
5G
$ 2431.28

American Custom Chemicals Corporation
BOC-(S)-3-AMINO-2-(PARA-TOLUENESULFONYLAMINO)-PROPIONIC ACID 98.00%
100MG
$ 187.95

AK Scientific
Boc-(S)-3-amino-2-(p-toluenesulfonylamino)-propionicacid
250mg
$ 191.00

Total 2 raw suppliers

Chemical Property of (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Chemical Property:

PSA：130.18000
LogP:3.11380
Storage Temp.:Store at 0-5°C
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:358.11985760
Heavy Atom Count:24
Complexity:541

Purity/Quality:

99% ^*data from raw suppliers

(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-methylphenylsulfonamido)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

There total 4 articles about (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]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: 96.0%

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

: 21753-19-5
2-(S)-p-toluenesulfonylamino-β-alanine

: 16947-86-7
N^α-Tosyl-N^β-(tert-butpxycarbonyl)-L-α,β-diamonopropionic acid

Guidance literature:: With sodium hydroxide; In 1,4-dioxane; for 3h; Ambient temperature;
DOI:10.1002/jhet.5570340516

Reference yield: 88.4%

: 1070-19-5
N-(tert-butyloxycarbonyl) azide

: 21753-19-5
2-(S)-p-toluenesulfonylamino-β-alanine

: 16947-86-7
N^α-Tosyl-N^β-(tert-butpxycarbonyl)-L-α,β-diamonopropionic acid

Guidance literature:: With sodium hydroxide; In 1,4-dioxane; at 45 ℃; for 48h;
DOI:10.1021/jm00137a017

Reference yield:

: 36212-66-5
N²-(toluene-4-sulfonyl)-L-asparagine

: 16947-86-7
N^α-Tosyl-N^β-(tert-butpxycarbonyl)-L-α,β-diamonopropionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / Br₂, aq. NaOH / 0.25 h / 80 °C

2: 96 percent / aq. NaOH / dioxane / 3 h / Ambient temperature

With sodium hydroxide; bromine; In 1,4-dioxane;
DOI:10.1002/jhet.5570340516