D-Valine, N-[[4-[(4-hydroxybenzoyl)amino]phenyl]sulfonyl]-

Base Information

Chemical Name:D-Valine, N-[[4-[(4-hydroxybenzoyl)amino]phenyl]sulfonyl]-
CAS No.:634590-69-5
Molecular Formula:C18H20N2O6S
Molecular Weight:392.42600
Hs Code.:
DSSTox Substance ID:DTXSID60447871
Wikidata:Q82266765

Synonyms:634590-69-5;D-Valine, N-[[4-[(4-hydroxybenzoyl)amino]phenyl]sulfonyl]-;DTXSID60447871

Suppliers and Price of D-Valine, N-[[4-[(4-hydroxybenzoyl)amino]phenyl]sulfonyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of D-Valine, N-[[4-[(4-hydroxybenzoyl)amino]phenyl]sulfonyl]-

Chemical Property:

PSA：144.67000
LogP:3.88770
XLogP3:2.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:392.10420754
Heavy Atom Count:27
Complexity:614

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)O
Isomeric SMILES:CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)O

Technology Process of D-Valine, N-[[4-[(4-hydroxybenzoyl)amino]phenyl]sulfonyl]-

There total 7 articles about D-Valine, N-[[4-[(4-hydroxybenzoyl)amino]phenyl]sulfonyl]- 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: 99.0%

: (2R)-3-methyl-2-{[4-(4-acetoxybenzoylamino)benzenesulfonyl]amino}butanoic acid methyl ester

: 634590-69-5
(2R)-3-methyl-2-{[4-(4-hydroxybenzoylamino)benzenesulfonyl]amino}butanoic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; water; at 20 - 60 ℃;
DOI:10.1002/jlcr.695

Reference yield:

: 4070-48-8,18869-42-6,21685-47-2
D-Valine methyl ester

: 634590-69-5
(2R)-3-methyl-2-{[4-(4-hydroxybenzoylamino)benzenesulfonyl]amino}butanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / N-methylmorpholine / CH₂Cl₂ / 0 - 20 °C

2: 91 percent / H₂ / Pd/C / methanol; ethyl acetate / 4 h / 20 °C

3: 60 percent / N-methylmorpholine / CH₂Cl₂ / 20 °C

4: 99 percent / NaOH / methanol; tetrahydrofuran; H₂O / 20 - 60 °C

With 4-methyl-morpholine; sodium hydroxide; hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; ethyl acetate;
DOI:10.1002/jlcr.695

Reference yield:

: 98-74-8
4-Nitrobenzenesulfonyl chloride

: 634590-69-5
(2R)-3-methyl-2-{[4-(4-hydroxybenzoylamino)benzenesulfonyl]amino}butanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / N-methylmorpholine / CH₂Cl₂ / 0 - 20 °C

2: 91 percent / H₂ / Pd/C / methanol; ethyl acetate / 4 h / 20 °C

3: 60 percent / N-methylmorpholine / CH₂Cl₂ / 20 °C

4: 99 percent / NaOH / methanol; tetrahydrofuran; H₂O / 20 - 60 °C

With 4-methyl-morpholine; sodium hydroxide; hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; ethyl acetate;
DOI:10.1002/jlcr.695