Dicyclopropylmethanamine

Base Information

• Chemical Name: Dicyclopropylmethanamine
• CAS No.: 13375-29-6
• Molecular Formula: C7H13N
• Molecular Weight: 111.187
• Hs Code.: 2921300090
• European Community (EC) Number: 236-451-7
• UNII: D3ZXK5V7GJ
• DSSTox Substance ID: DTXSID80158351
• Nikkaji Number: J213.886G
• Wikidata: Q72468780
• Mol file: 13375-29-6.mol

Synonyms:dicyclopropylmethanamine;13375-29-6;(Dicyclopropylmethyl)amine;dicyclopropylmethylamine;1,1-DICYCLOPROPYLMETHANAMINE;D3ZXK5V7GJ;EINECS 236-451-7;MFCD06804453;Dicyclopropanemethylamine;UNII-D3ZXK5V7GJ;SCHEMBL1000749;DTXSID80158351;BBL103015;STL556824;AKOS004115308;4-CHLORO-PENTANOICACIDETHYLESTER;CS-W019419;AC-13091;BS-12816;SY023298;FT-0624751;EN300-54980;AB00987252-01;A806675;Dicyclopropylmethanamine;W-108293

Chemical Property of Dicyclopropylmethanamine

Chemical Property:

• Vapor Pressure: 2.3mmHg at 25°C
• Melting Point: -52oC
• Refractive Index: 1.578
• Boiling Point: 161.2 °C at 760 mmHg
• PKA: 10.65±0.50(Predicted)
• Flash Point: 45.7 °C
• PSA: 3.24000
• Density: 1.092 g/cm³
• LogP: 1.24300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 111.104799419
• Heavy Atom Count: 8
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

1,1-Dicyclopropylmethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(C2CC2)N
• Uses: 1,1-Dicyclopropylmethanamine is used as a reactant in the preparation of 4-dicyclopropylamino-7-aryl-7H-purines as CRF-1 antagonists with differentiated binding kinetic profiles.

Technology Process of Dicyclopropylmethanamine

There total 5 articles about Dicyclopropylmethanamine 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: 85.8%

dicyclopropylmethanone oxime (1453-52-7) → dicyclopropylmethylamine (13375-29-6)

Guidance literature:

With nickel; sodium hydroxide; In water; at 70 - 80 ℃; for 4h; under 15001.5 Torr; Reagent/catalyst; Temperature; Inert atmosphere; Autoclave;

Reference yield:

C7H11N3 → dicyclopropylmethylamine (13375-29-6)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/jo00129a005

Reference yield:

dicyclopropyl ketone (1121-37-5) → dicyclopropylmethylamine (13375-29-6)

Guidance literature:

With hydrogen; hydroxylamine; palladium on activated charcoal;

DOI:10.1021/jm950858c

upstream raw materials:

dicyclopropylmethanone oxime

dicyclopropyl ketone

dicyclopropylmethanol

Downstream raw materials:

dicyclopropylmethyl-[9-(4-methoxyphenyl)-2,8-dimethyl-9H-purin-6-yl]-amine

3-chloro-4-[6-(dicyclopropylmethylamino)-2,8-dimethyl-purin-9-yl]-phenol

dicyclopropylmethyl-[9-(2-bromo-4-chlorophenyl)-2,8-dimethyl-9H-purin-6-yl]-amine

4-[6-(dicyclopropylmethyl-amino)-2,8-dimethyl-purin-9-yl]-3-fluoro-phenol

Refernces

• 1、 Leroux,Van Keulen,Daliers,Pommery,Henichart. "Phosphodiesterase 4 inhibitors as airways smooth muscle relaxant agents: synthesis and biological activities of triazine derivatives". . p. 509 - 516. Retrieved 1999.
• 2、 -. "THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE". Page/Page column 150. . Retrieved 2015/02/02.
• 3、 Sasse, Astrid,Ligneau, Xavier,Rouleau, Agnès,Elz, Sigurd,Ganellin, C. Robin,Arrang, Jean-Michel,Schwartz, Jean-Charles,Schunack, Walter,Stark, Holger. "Influence of bulky substituents on histamine H3 receptor agonist/antagonist properties". . p. 4000 - 4010. Retrieved 2007/10/03.