Carbamimidothioic acid, phenylmethyl ester, monohydrobromide

Base Information

• Chemical Name: Carbamimidothioic acid, phenylmethyl ester, monohydrobromide
• CAS No.: 55796-74-2
• Molecular Formula: C8H10N2S.BrH
• Molecular Weight: 247.159
• Mol file: 55796-74-2.mol

Synonyms:11,11-Dichlortricyclo[4.4.1.01,6]undecan;11,11-Dichlor[4.4.1]propellan;

Chemical Property of Carbamimidothioic acid, phenylmethyl ester, monohydrobromide

Chemical Property:

• PSA: 0.00000
• LogP: 4.29470

Purity/Quality:

99% ^*data from raw suppliers

2-BenzylisothiouroniumBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Carbamimidothioic acid, phenylmethyl ester, monohydrobromide

There total 1 articles about Carbamimidothioic acid, phenylmethyl ester, monohydrobromide 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: 100.0%

benzyl bromide (100-39-0) + thiourea (17356-08-0) → (benzylsulfanyl)methanimidamide hydrobromide (55796-74-2)

Guidance literature:

In isopropyl alcohol; at 85 ℃; for 1h;

Reference yield: 93.0%

(benzylsulfanyl)methanimidamide hydrobromide (55796-74-2) + 1,1'-carbonyldiimidazole (530-62-1) → benzyl N'-(1H-imidazol-1-ylcarbonyl)carbamimidothioate (1360895-57-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chem.201102097

Reference yield: 90.0%

2-cyanopyrimidine (14080-23-0) + (benzylsulfanyl)methanimidamide hydrobromide (55796-74-2) → benzyl 2-pyrimidine sulfide (66348-67-2)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 4h;

DOI:10.1002/ejoc.201901364

upstream raw materials:

benzyl bromide

thiourea

Downstream raw materials:

methylguanidine

4-Benzylsulfanyl-6-methyl-[1,3,5]triazin-2-ylamine

phenylmethanethiol

1-(2-benzylsulfanyl-4-methyl-imidazol-1-yl)-propan-2-one

Refernces

• 1、 Hickey, Shane M.,White, Jonathan M.,Pfeffer, Frederick M.,Ashton, Trent D.. "Synthesis of 2-(Benzylthio)-4-(trifluoromethyl)thiazole-5-carboxylates Using S -Benzylisothiouronium Halides as Thiol Equivalents". supporting information. p. 1759 - 1763. Retrieved 2015/07/20.
• 2、 Woodland, Andrew,Grimaldi, Raffaella,Luksch, Torsten,Cleghorn, Laura A. T.,Ojo, Kayode K.,VanVoorhis, Wesley C.,Brenk, Ruth,Frearson, Julie A.,Gilbert, Ian H.,Wyatt, Paul G.. "From on-target to off-target activity: Identification and optimisation of Trypanosoma brucei GSK3 inhibitors and their characterisation as anti-Trypanosoma brucei drug discovery lead molecules". . p. 1127 - 1137. Retrieved 2013/07/26.