[3-[[[2-(Diaminomethyleneamino)-4-thiazolyl]methyl]thio]propionyl]sulfamide Hydrochloride

Base Information

• Chemical Name: [3-[[[2-(Diaminomethyleneamino)-4-thiazolyl]methyl]thio]propionyl]sulfamide Hydrochloride
• CAS No.: 76824-17-4
• Molecular Formula: C₈H₁₄N₆O₃S₃*ClH
• Molecular Weight: 374.896
• Hs Code.: 2934990002
• DSSTox Substance ID: DTXSID70509959
• Mol file: 76824-17-4.mol

Synonyms:76824-17-4;Famotidine Impurity C HCl;[3-[[[2-(Diaminomethyleneamino)-4-thiazolyl]methyl]thio]propionyl]sulfamide Hydrochloride;3-(((2-Guanidinothiazol-4-yl)methyl)thio)-N-sulfamoylpropanamide hydrochloride;3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N-sulfamoylpropanamide;hydrochloride;3-[[[2-[(Diaminomethylene)amino]thiazol-4-yl]methyl]sulfanyl]-N-sulfamoylpropanamide Hydrochloride;Famotidine impurity C;Famotidine EP impurity C;SCHEMBL11237738;DTXSID70509959;3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-(aminosulfonyl)propanamide Hydrochloride;CS-0455681;FT-0666379;A899960;A1-06479;3-(((2-Guanidinothiazol-4-yl)methyl)thio)-N-sulfamoylpropanamidehydrochloride;3-[({2-[(Diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N-sulfamoylpropanamide--hydrogen chloride (1/1)

Chemical Property of [3-[[[2-(Diaminomethyleneamino)-4-thiazolyl]methyl]thio]propionyl]sulfamide Hydrochloride

Chemical Property:

• Melting Point: 148-150°C (dec.)
• PSA: 229.46000
• LogP: 3.68790
• Storage Temp.: -20?C Freezer
• Solubility.: Methanol (Slightly)
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 374.0056296
• Heavy Atom Count: 21
• Complexity: 459

Purity/Quality:

99%, ^*data from raw suppliers

[3-[[[2-(Diaminomethyleneamino)-4-thiazolyl]methyl]thio]propionyl]sulfamideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(S1)N=C(N)N)CSCCC(=O)NS(=O)(=O)N.Cl
• Uses: An intermediate in the synthesis of the metabolite of the drug Famotidine.

Technology Process of [3-[[[2-(Diaminomethyleneamino)-4-thiazolyl]methyl]thio]propionyl]sulfamide Hydrochloride

There total 3 articles about [3-[[[2-(Diaminomethyleneamino)-4-thiazolyl]methyl]thio]propionyl]sulfamide Hydrochloride 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: 83.6%

famotidine (76824-35-6) → <3-<<<2-<(diaminomethylene)amino>-4-thiazolyl>methyl>thio>propionyl>sulfamide hydrochloride (76824-17-4)

Guidance literature:

With hydrogenchloride; for 64h; Ambient temperature;

DOI:10.1021/jm00393a018

Reference yield:

N-sulfamoyl-3-(2-guanidino-thiazole-4-yl-methylthio)-propionamidine → 3-(2-guanidinothiazol-4-ylmethylthio)propionylsulfamide hydrochloride (76824-17-4)

Guidance literature:

In hydrogenchloride;

Reference yield:

methyl 3-<<<2-<(diaminomethylene)amino>-4-thiazolyl>methyl>thio>propionimidate (76823-94-4) → <3-<<<2-<(diaminomethylene)amino>-4-thiazolyl>methyl>thio>propionyl>sulfamide hydrochloride (76824-17-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 54.7 percent / H₂NSO₂NH₂ / methanol / 47 h / Ambient temperature

2: 83.6 percent / 1 N HCl / 64 h / Ambient temperature

With hydrogenchloride; SULFAMIDE; In methanol;

DOI:10.1021/jm00393a018

upstream raw materials:

famotidine

methyl 3-<<<2-<(diaminomethylene)amino>-4-thiazolyl>methyl>thio>propionimidate

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