Tert-butyl 2-{[(4-methoxyphenyl)sulfonyl]amino}-3-methylbutanoate

Base Information

• Chemical Name: Tert-butyl 2-{[(4-methoxyphenyl)sulfonyl]amino}-3-methylbutanoate
• CAS No.: 197965-90-5
• Molecular Formula: C₁₆H₂₅NO₅S
• Molecular Weight: 343.444
• DSSTox Substance ID: DTXSID601188182
• Mol file: 197965-90-5.mol

Synonyms:SCHEMBL5093836;WPCSVLQWNWCUBB-UHFFFAOYSA-N;DTXSID601188182;N-[(4-Methoxyphenyl)sulfonyl]valine 1,1-dimethylethyl ester;tert-butyl 2-{[(4-methoxyphenyl)sulfonyl]amino}-3-methylbutanoate;2-(4-Methoxy-benzenesulfonylamino)-3-methyl-butyric acid tert-butyl ester;197965-90-5

Chemical Property of Tert-butyl 2-{[(4-methoxyphenyl)sulfonyl]amino}-3-methylbutanoate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 343.14534407
• Heavy Atom Count: 23
• Complexity: 482

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)OC

Technology Process of Tert-butyl 2-{[(4-methoxyphenyl)sulfonyl]amino}-3-methylbutanoate

There total 4 articles about Tert-butyl 2-{[(4-methoxyphenyl)sulfonyl]amino}-3-methylbutanoate 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:

valine tert-butyl ester hydrochloride (75898-43-0) + 4-methoxy-phenyl-sulphonyl chloride (98-68-0) → 2(R)-(4-methoxybenzenesulfonylamino)-3-methylbutyric acid tert-butyl ester (197965-90-5)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield:

D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8) → 2(R)-(4-methoxybenzenesulfonylamino)-3-methylbutyric acid tert-butyl ester (197965-90-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / dioxane; H₂O / Ambient temperature

2: toluene / 3 h / 95 °C

With triethylamine; In 1,4-dioxane; water; toluene;

DOI:10.1021/jm960871c

Reference yield:

4-methoxy-phenyl-sulphonyl chloride (98-68-0) → 2(R)-(4-methoxybenzenesulfonylamino)-3-methylbutyric acid tert-butyl ester (197965-90-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / dioxane; H₂O / Ambient temperature

2: toluene / 3 h / 95 °C

With triethylamine; In 1,4-dioxane; water; toluene;

DOI:10.1021/jm960871c

upstream raw materials:

N-((4-methoxyphenyl)sulfonyl)valine

N,N-dimethylformamide di-tert-butyl acetal

D,L-valine

4-methoxy-phenyl-sulphonyl chloride

Downstream raw materials:

2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-methyl-butyric acid tert-butyl ester

2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-methyl-butyric acid