Diisopromine

Base Information

• Chemical Name: Diisopromine
• CAS No.: 5966-41-6
• Molecular Formula: C21H29 N
• Molecular Weight: 295.468
• European Community (EC) Number: 227-752-4
• UNII: 2825S6AW9U
• DSSTox Substance ID: DTXSID60208343
• Nikkaji Number: J8.318F
• Wikipedia: Diisopromine
• Wikidata: Q5276477
• NCI Thesaurus Code: C80978
• Metabolomics Workbench ID: 154282
• ChEMBL ID: CHEMBL2110849
• Mol file: 5966-41-6.mol

Synonyms:N-cyclopropyl-2-(6-(3,5-dimethylphenyl)thieno(3,2-d)pyrimidin-4-yl)hydrazine carbothioamide;R 253 compound;R-253 compound;R253 compound

Chemical Property of Diisopromine

Chemical Property:

• Vapor Pressure: 2.41E-06mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 391.7°C at 760 mmHg
• Flash Point: 170.8°C
• PSA: 3.24000
• Density: 0.954g/cm³
• LogP: 5.32740
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 295.229999929
• Heavy Atom Count: 22
• Complexity: 258

Purity/Quality:

98%Min ^*data from raw suppliers

Diisopromine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CCC(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C
• Uses: Spasmolitic; choleretic.

Technology Process of Diisopromine

There total 20 articles about Diisopromine 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: 93.0%

1-(N,N-diisopropyl)-3,3-diphenyl-1-propene → N, N-diisopropyl-3,3-diphenylpropan-1-amine (5966-41-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 16h; Ambient temperature;

DOI:10.1021/jo00125a061

Reference yield: 88.0%

1,1-Diphenylethylene (530-48-3) + carbon monoxide (201230-82-2) + diisopropylamine (108-18-9) → N, N-diisopropyl-3,3-diphenylpropan-1-amine (5966-41-6)

Guidance literature:

With hydrogen; [Rh(1,3-dimesitylimidazole-2-ylidene)(cod)Cl]; In toluene; at 125 ℃; for 24h;

DOI:10.1002/chem.200601155

Reference yield: 70.0%

3,3-diphenylpropan-1-ol (20017-67-8) + diisopropylamine (108-18-9) → N, N-diisopropyl-3,3-diphenylpropan-1-amine (5966-41-6)

Guidance literature:

3,3-diphenylpropan-1-ol; With dmap; triethylamine; 4-Nitrobenzenesulfonyl chloride; In dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;

diisopropylamine; With potassium carbonate; In acetonitrile; at 60 ℃; for 48h; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201814572

upstream raw materials:

benzhydryl methyl ether

(2-chloroethyl)-diisopropylamine

3,3-diphenylpropanal

diisopropylamine

Refernces

• 1、 Wang, Wang,Ding, Chao,Li, Yangyang,Li, Zheqi,Li, Yuqiang,Peng, Long,Yin, Guoyin. "Migratory Arylboration of Unactivated Alkenes Enabled by Nickel Catalysis". supporting information. p. 4612 - 4616. Retrieved 2019/03/13.
• 2、 Zakusilo, Dmitry N.,Ryabukhin, Dmitry S.,Boyarskaya, Irina A.,Yuzikhin, Oleg S.,Vasilyev, Aleksander V.. "Tandem superelectrophilic hydroarylation of CC bond and carbonyl reduction in cinnamides: Synthetic rout to 3,3-diarylpropylamines, valuable pharmaceuticals". . p. 102 - 108. Retrieved 2015/02/02.