Sulfacarbamide

Base Information

• Chemical Name: Sulfacarbamide
• CAS No.: 547-44-4
• Molecular Formula: C7H9 N3 O3 S
• Molecular Weight: 215.233
• Hs Code.: 2935009090
• European Community (EC) Number: 208-922-7
• NSC Number: 760438,78438
• UNII: W6CD25Z4QR
• DSSTox Substance ID: DTXSID1046425
• Nikkaji Number: J9.413G
• Wikidata: Q27292394
• NCI Thesaurus Code: C152453
• ChEMBL ID: CHEMBL139877
• Mol file: 547-44-4.mol

Synonyms:sulfacarbamide;sulfanilylurea;Urosulfan

Chemical Property of Sulfacarbamide

Chemical Property:

• Melting Point: 146-148° (slight dec)
• Refractive Index: 1.6630 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: pKa 1.78(H2O t = 25 I = 0.05) (Uncertain);5.42(H2O t = 25 I = 0.05) (Uncertain)
• Flash Point: °C
• PSA: 123.66000
• Density: 1.504g/cm³
• LogP: 2.37900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: 2.333g/L(20 oC)
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 215.03646233
• Heavy Atom Count: 14
• Complexity: 301

Purity/Quality:

98%min ^*data from raw suppliers

Sulfacarbamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC(=O)N
• Uses: antibacterial Sulfacarbamide-d4 is the labeled analogue of Sulfacarbamide (S688945), an antibiotic which is rapidly absorbed in blister fluid.

Technology Process of Sulfacarbamide

There total 14 articles about Sulfacarbamide 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:

sulfamethoxazole (723-46-6) → 5-methylisoxazol-3-ylamine (1072-67-9) + benzenesulfonamide (98-10-2) + 1,2,4-Trihydroxybenzene (533-73-3) + N-((4-aminophenyl)sulfonyl)carbamimidic acid (547-44-4) + 3-hydroxybenzenesulfonamide (20759-40-4) + 4-amino-N-(4-hydroxy-5-methylisoxazol-3-yl)benzenesulfonamide + N-(4,5-dihydroxy-5-methyl-4,5-dihydroisoxazol-3-yl)-4-hydroxybenzenesulfonamide + N-(4,5-dihydroxy-5-methyl-4,5-dihydroisoxazol-3-yl)benzenesulfonamide + (Z)-N-((2-oxopropylidene)carbamoyl)methanesulfonamide + 3,4-dihydroxy-N-(5-methylisoxazol-3-yl)benzenesulfonamide + 3,4-dihydroxy-N-(4-hydroxy-5-methylisoxazol-3-yl)benzenesulfonamide + 4-amino-3-hydroxy-N- (5-methylisoxazol-3-yl)benzenesulfonamide + 4-amino-3-hydroxy-N-(4-hydroxy-5-methylisoxazol-3-yl)benzenesulfonamide + 2-oxo-N-(phenylsulfonyl)acetimidamide + 4-hydroxy-N-(5-methyl-3-isoxazolyl)benzenesulphonamide (141233-20-7) + N-(5-methyl-isoxazol-3-yl)-4-nitro-benzenesulfonamide (29699-89-6) + phenol (108-95-2,27073-41-2)

Guidance literature:

With AgBr-BaMoO₄ composite photocatalyst; In water; for 1.25h; Reagent/catalyst; Kinetics; UV-irradiation;

DOI:10.1016/j.jphotochem.2018.07.007

Reference yield:

sulfadiazine (68-35-9) + sulfamerazina (127-79-7) + sulfadimesine (57-68-1) → PYRIMIDINE (289-95-2,25247-63-6) + sulfonic acid + oxamic acid (471-47-6) + urosulfan (547-44-4) + C5H7N3O3S + C6H9N3O3S + oxalic acid (144-62-7,97993-78-7) + 4-amino-phenol (123-30-8) + acetic acid (64-19-7,77671-22-8) + hydroquinone (123-31-9,8027-02-9)

Guidance literature:

sulfadiazine; sulfamerazina; sulfadimesine; With dipotassium peroxodisulfate; In water; for 1h; Darkness;

In water; for 4h; pH=10; pH-value; Irradiation;

DOI:10.1016/j.jphotochem.2020.112485

Reference yield:

N-carbamoyl-4-nitrobenzenesulfonamide (29177-55-7) → urosulfan (547-44-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 3h;

upstream raw materials:

4-acetylamino-N-carbamoyl-benzenesulfonamide

1-methyl-4-nitrosobenzene

1-amino-4-({[amino(imino)methyl]amino}sulfonyl)benzene

p-acetylaminobenzenesulfonyl chloride

Downstream raw materials:

4-(2-benzylidenehydrazino-4-phenyl-thiazol-5-ylazo)-N-carbamoyl-benzenesulfonamide

C₂₃H₁₉N₇O₄SSe

C₂₄H₂₁N₇O₄SSe

C₂₅H₂₃N₇O₅SSe

Refernces

• 1、 Guzmán-Mar, Jorge L.,Hernández-Ramírez, Aracely,Hinojosa-Reyes, Laura,Mendiola-Alvarez, Sandra Y.,Palomino-Cabello, Carlos,Turnes-Palomino, Gemma. "Coupled heterogeneous photocatalysis using a P-TiO2-αFe2O3 catalyst and K2S2O8 for the efficient degradation of a sulfonamide mixture". . . Retrieved 2020/03/18.
• 2、 -. "3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF". . . Retrieved 2017/10/06.