Clobenpropit dihydrobromide

Base Information

• Chemical Name: Clobenpropit dihydrobromide
• CAS No.: 145231-35-2
• Molecular Formula: C14H17ClN4S.2BrH
• Molecular Weight: 470.659
• DSSTox Substance ID: DTXSID0042610
• Wikidata: Q27133087
• Mol file: 145231-35-2.mol

Synonyms:Clobenpropit dihydrobromide;145231-35-2;Clobenpropit 2HBr;VUF9153;clobenpropit hydrobromide;Clobenpropit Dihydrobromide, VUF 9153;3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;dihydrobromide;3-(1H-imidazol-4-yl)propyl (4-chlorobenzyl)carbamimidothioate dihydrobromide;3-(1H-Imidazol-4-yl)propyl 4-Chlorobenzylcarbamimidothioate Dihydrobromide;C14-H17-Cl-N4-S;MFCD00467655;N-(4-Chlorobenzyl)-S-[3-(4(5)-imidazolyl)propyl]isothiourea;VUF 9153 dihydrobromide;cloben-propit dihydrobromide;Clobenpropit (hydrobromide);DTXSID0042610;SCHEMBL15130115;CHEBI:64165;Clobenpropit dihydrobromide, solid;BCP33039;EX-A6820;VFA23135;AKOS015913948;AKOS032947217;AKOS037647806;AC-25676;AS-74855;LS-50732;HY-101198;C-345;C3446;CS-0020974;FT-0738359;D89559;SR-01000597946;J-008075;SR-01000597946-1;Q27133087;N-(4-Chlorobenzyl)-S-[3-(4(5)-imidazolyl)propyl]isothiourea dihydrobromide;1-(4-Chloro-benzyl)-2-[3-(1H-imidazol-4-yl)-propyl]-isothiourea dihydrobromide;3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate dihydrobromide;dihydrobromide.;3-(1H-imidazol-5-yl)propyl N-(4-chlorobenzyl)imidothiocarbamate dihydrobromide;Carbamimidothioic acid,N-[(4-chlorophenyl)methyl]-,3-(1H-imidazol-5-yl)propyl ester;N-[(4-chlorophenyl)methyl]-3-(1H-imidazol-5-yl)propyl ester, carbamimidothioic acid, dihydrobromide;N-[(4-chlorophenyl)methyl]{[3-(1H-imidazol-5-yl)propyl]sulfanyl}methanimidamide dihydrobromide

Chemical Property of Clobenpropit dihydrobromide

Chemical Property:

• Melting Point: 205°C(lit.)
• PSA: 89.86000
• LogP: 5.86030
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 469.93652
• Heavy Atom Count: 22
• Complexity: 306

Purity/Quality:

98%Min ^*data from raw suppliers

Clobenpropit dihydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl.Br.Br
• Uses: Clobenpropit Dihydrobromide and it’s analogues functions as potent histamine H3 antagonist.

Technology Process of Clobenpropit dihydrobromide

There total 3 articles about Clobenpropit dihydrobromide 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: 26.0%

N-(4-chlorobenzyl)thiourea (24827-37-0) + 4-(3-bromopropyl)-1H-imidazole hydrobromide (52237-36-2) → Clobenpropit dihydrobromide (145231-35-2)

Guidance literature:

In ethanol; for 144h;

DOI:10.1016/0223-5234(92)90185-4

Reference yield:

4-chloro-aniline (106-47-8) → Clobenpropit dihydrobromide (145231-35-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 55 percent / diethyl ether / 2 h

2: 73 percent / aq. K₂CO₃ / ethanol / 2 h / Heating

3: 26 percent / ethanol / 144 h

With potassium carbonate; In diethyl ether; ethanol;

DOI:10.1016/0223-5234(92)90185-4

Reference yield:

N-((4-chlorobenzyl)carbamothioyl)benzamide (145383-00-2) → Clobenpropit dihydrobromide (145231-35-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / aq. K₂CO₃ / ethanol / 2 h / Heating

2: 26 percent / ethanol / 144 h

With potassium carbonate; In ethanol;

DOI:10.1016/0223-5234(92)90185-4

upstream raw materials:

N-(4-chlorobenzyl)thiourea

4-(3-bromopropyl)-1H-imidazole hydrobromide

4-chloro-aniline

N-((4-chlorobenzyl)carbamothioyl)benzamide

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