N-Cyclopropylbenzylamine

Base Information

• Chemical Name: N-Cyclopropylbenzylamine
• CAS No.: 13324-66-8
• Molecular Formula: C10H13 N
• Molecular Weight: 147.22
• Hs Code.: 2942000090
• DSSTox Substance ID: DTXSID90158024
• Nikkaji Number: J1.254.951B
• Wikidata: Q83026180
• ChEMBL ID: CHEMBL27700
• Mol file: 13324-66-8.mol

Synonyms:N-cyclopropylbenzylamine;N-cyclopropylbenzylamine hydrochloride

Chemical Property of N-Cyclopropylbenzylamine

Chemical Property:

• Vapor Pressure: 0.0681mmHg at 25°C
• Melting Point: 97-98.5 °C
• Boiling Point: 229.8°C at 760 mmHg
• PKA: 8.47±0.20(Predicted)
• Flash Point: 92.8°C
• PSA: 12.03000
• Density: 1.01g/cm³
• LogP: 2.32950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

98%min ^*data from raw suppliers

N-Cyclopropylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NCC2=CC=CC=C2

Technology Process of N-Cyclopropylbenzylamine

There total 21 articles about N-Cyclopropylbenzylamine 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%

C11H12F3NO2S (1396164-75-2) → N-benzylcyclopropanamine (13324-66-8)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; at 0 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jo300947h

Reference yield: 81.0%

N-benzylidenecyclopropylamine (3187-77-7) → N-benzylcyclopropanamine (13324-66-8)

Guidance literature:

With hydrogen; platinum(IV) oxide;

DOI:10.1021/jm00376a019

Reference yield: 78.0%

benzaldehyde (100-52-7) + Cyclopropylamine (765-30-0) → N-benzylcyclopropanamine (13324-66-8)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In methanol; at 20 ℃; for 72h;

DOI:10.1021/jo991104z

upstream raw materials:

N-cyclopropylbenzamide

N-benzylidenecyclopropylamine

N-carbobenzyloxy-N-benzylcyclopropylamine

benzyl bromide

Downstream raw materials:

N-Benzyl-N-cyclopropyl-3-chlorobenzamide

C₁₁H₁₂F₃NO₂S

N-Benzyl-N-cyclopropyl-2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-oxo-acetamide

N-benzyl-N-cyclopropylcyanamide

Refernces

• 1、 Starnowska, Joanna,Costante, Roberto,Guillemyn, Karel,Popiolek-Barczyk, Katarzyna,Chung, Nga N.,Lemieux, Carole,Keresztes, Attila,Van Duppen, Joost,Mollica, Adriano,Streicher, John,Vanden Broeck, Jozef,Schiller, Peter W.,Tourwé, Dirk,Mika, Joanna,Ballet, Steven,Przewlocka, Barbara. "Analgesic Properties of Opioid/NK1 Multitarget Ligands with Distinct in Vitro Profiles in Naive and Chronic Constriction Injury Mice". . p. 2315 - 2324. Retrieved 2017.
• 2、 Ramsden, Jeremy I.,Heath, Rachel S.,Derrington, Sasha R.,Montgomery, Sarah L.,Mangas-Sanchez, Juan,Mulholland, Keith R.,Turner, Nicholas J.. "Biocatalytic N-Alkylation of Amines Using Either Primary Alcohols or Carboxylic Acids via Reductive Aminase Cascades". . p. 1201 - 1206. Retrieved 2019/01/21.
• 3、 Huang, Yuan-Qiong,Song, Hong-Jian,Liu, Yu-Xiu,Wang, Qing-Min. "Dehydrogenation of N-Heterocycles by Superoxide Ion Generated through Single-Electron Transfer". supporting information. p. 2065 - 2069. Retrieved 2018/01/27.