Cyclopropyl(phenyl)methanamine

Base Information

• Chemical Name: Cyclopropyl(phenyl)methanamine
• CAS No.: 23459-38-3
• Molecular Formula: C10H13 N
• Molecular Weight: 147.22
• Hs Code.: 2921499090
• European Community (EC) Number: 809-062-0
• DSSTox Substance ID: DTXSID60391007
• Mol file: 23459-38-3.mol

Synonyms:cyclopropyl(phenyl)methanamine;23459-38-3;1-cyclopropyl-1-phenylmethanamine;MFCD05191945;alpha-cyclopropylbenzylamine;155047-88-4;rac-alpha-cyclopropylbenzylamine;SCHEMBL1423740;DTXSID60391007;Alpha-cyclopropylbenzenemethanamine;UCRSQPUGEDLYSH-UHFFFAOYSA-N;AKOS000199754;AKOS016344064;SB36582;SB37181;AM100552;BS-13453;C-CYCLOPROPYL-C-PHENYL-METHYLAMINE;SY042927;A4917;BB 0258032;CS-0449873;FT-0660213;FT-0682287;EN300-30475;F14028;J-519572;7,7'-Dibromo-3,3',4,4'-tetrahydro-2H,2H'-8,8'-bi-1,4-benzoazine

Chemical Property of Cyclopropyl(phenyl)methanamine

Chemical Property:

• Vapor Pressure: 0.0521mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 234.7°C at 760 mmHg
• PKA: 9.29±0.10(Predicted)
• Flash Point: 98.4°C
• PSA: 26.02000
• Density: 1.082g/cm³
• LogP: 2.79670
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

97% ^*data from raw suppliers

1-Cyclopropyl-1-phenylmethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(C2=CC=CC=C2)N
• Uses: 1-Cyclopropyl-1-phenylmethanamine is a derivative of Benzylamine (B224860), which is a compound that has been used as a reactant in the preparation of diacetylated benzylamide and has been shown to induce a G1/G0 arrest in tumor cells and cytotoxicity against human ovarian cancer cells.

Technology Process of Cyclopropyl(phenyl)methanamine

There total 10 articles about Cyclopropyl(phenyl)methanamine 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: 92.0%

cyclopropylmagnesium bromide (23719-80-4) + benzonitrile (100-47-0) → 1-phenylcyclopropylmethylamine (23459-38-3,321863-61-0)

Guidance literature:

cyclopropylmagnesium bromide; benzonitrile; In tetrahydrofuran; at 0 ℃; for 5.5h;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 20 ℃; for 16h;

With water; In tetrahydrofuran; methanol; chloroform; pH=1;

Reference yield: 76.0%

concentrated potassium hydroxide + cyclopropyl phenyl ketone (3481-02-5) → 1-phenylcyclopropylmethylamine (23459-38-3,321863-61-0)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In methanol; water;

Reference yield:

cyclopropyl bromide (4333-56-6,130561-87-4) + benzonitrile (100-47-0) → 1-phenylcyclopropylmethylamine (23459-38-3,321863-61-0)

Guidance literature:

cyclopropyl bromide; With iodine; magnesium; In tetrahydrofuran; Inert atmosphere; Reflux;

benzonitrile; for 3.5h; Reflux;

With sodium tetrahydroborate; at 20 ℃; for 72h;

upstream raw materials:

cyclopropyl(phenyl)methanone oxime

cyclopropyl phenyl ketone

ethanol

cyclopropylmagnesium bromide

Downstream raw materials:

(cyclopropyl-phenyl-methyl)-carbamic acid methyl ester

3-(Cyclopropyl-phenyl-methyl)-1-(2-hydroxy-ethyl)-1-methyl-thiourea

N-CBZ-β-benzyl-L-aspartyl-D-alanine α-(R,S)-cyclopropylbenzylamide

cyclopropyl phenyl ketone