Tifacogin

Base Information

• Chemical Name: Tifacogin
• CAS No.: 73325-61-8
• Molecular Formula: C12H13NS
• Molecular Weight: 203.308
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70933497
• Nikkaji Number: J3.099.643G
• Wikidata: Q82909315
• NCI Thesaurus Code: C152614
• Mol file: 73325-61-8.mol

Synonyms:SC-59735;Tifacogin

Chemical Property of Tifacogin

Chemical Property:

• PSA: 40.27000
• LogP: 3.42880
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 203.07687059
• Heavy Atom Count: 14
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

Benzyl(thiophen-2-ylmethyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCC2=CC=CS2

Technology Process of Tifacogin

There total 19 articles about Tifacogin 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: 98.0%

N-[(1E)-thiophen-2-ylmethylidene]benzenemethanamine (131196-45-7) → N-benzyl-1-(thiophen-2-yl)methanamine (73325-61-8)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2005.09.127

Reference yield: 94.0%

thiophene-2-carbaldehyde (98-03-3) + benzylamine (100-46-9) → N-benzyl-1-(thiophen-2-yl)methanamine (73325-61-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; (2-chloro-6-fluorophenyl)bis(2,6-dichlorophenyl)borane; hydrogen; In toluene; at 80 ℃; for 72h; under 15001.5 Torr; chemoselective reaction; Glovebox;

DOI:10.1002/anie.201703591

Reference yield: 87.0%

C16H23NSSi (1384953-90-5) → N-benzyl-1-(thiophen-2-yl)methanamine (73325-61-8)

Guidance literature:

C₁₆H₂₃NSSi; With hydrogenchloride; In diethyl ether; at 23 ℃; for 1h; Inert atmosphere;

With sodium hydrogencarbonate; In methanol; water; at 23 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ja304547s

upstream raw materials:

2-Chloromethylthiophene

benzylamine

N-(thiophen-2-ylmethylene)benzylamine

N-[(1E)-thiophen-2-ylmethylidene]benzenemethanamine

Downstream raw materials:

C₂₀H₂₄N₂O₂S

C₁₃H₁₂ClNOS

trimethyl ammonium benzyl-thiophen-2-ylmethyldithiocarbamate

(1S,2S)-2-(benzyl(thiophen-2-ylmethyl)amino)-1,2-dihydronaphthalen-1-ol

Refernces

• 1、 Ye, Pengqing,Shao, Yinlin,Ye, Xuanzeng,Zhang, Fangjun,Li, Renhao,Sun, Jiani,Xu, Beihang,Chen, Jiuxi. "Homoleptic Bis(trimethylsilyl)amides of Yttrium Complexes Catalyzed Hydroboration Reduction of Amides to Amines". . p. 1306 - 1310. Retrieved 2020/02/22.
• 2、 -. "HYDROGENATION OF IMINES WITH RU COMPLEXES". Page/Page column 36-38; 33-34. . Retrieved 2019/09/18.