Benzenamine, N-(2-methylpropyl)-

Base Information

• Chemical Name: Benzenamine, N-(2-methylpropyl)-
• CAS No.: 588-47-6
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• DSSTox Substance ID: DTXSID10207528
• Nikkaji Number: J94.994I
• Wikidata: Q83081439
• Mol file: 588-47-6.mol

Synonyms:N-(2-methylpropyl)aniline;588-47-6;Benzenamine, N-(2-methylpropyl)-;N-ISOBUTYLANILINE;N-PHENYLISOBUTYLAMINE;n-isobutyl-aniline;SCHEMBL182877;DTXSID10207528;AKOS000222554;N-(2-methyl-1-propyl)-N-phenylamine;CS-0274343;EN300-32380

Chemical Property of Benzenamine, N-(2-methylpropyl)-

Chemical Property:

• Vapor Pressure: 0.0564mmHg at 25°C
• Melting Point: 1.08°C (estimate)
• Refractive Index: 1.5328
• Boiling Point: 233.3°Cat760mmHg
• Flash Point: 93.3°C
• PSA: 12.03000
• Density: 0.939g/cm³
• LogP: 2.82750
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 93

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNC1=CC=CC=C1

Technology Process of Benzenamine, N-(2-methylpropyl)-

There total 58 articles about Benzenamine, N-(2-methylpropyl)- 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: 100.0%

isobutyraldehyde (78-84-2) + aniline (62-53-3) → N-isobutylaniline (588-47-6)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In water; isopropyl alcohol; at 20 ℃; for 0.5h;

DOI:10.1021/jo701503q

Reference yield: 100.0%

nitrobenzene (98-95-3,26969-40-4) + isobutyraldehyde (78-84-2) → N-isobutylaniline (588-47-6)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In water; isopropyl alcohol; at 20 ℃; for 0.166667h;

DOI:10.1021/jo701503q

Reference yield: 100.0%

Isobutyronitrile (78-82-0) + nitrobenzene (98-95-3,26969-40-4) → N-isobutylaniline (588-47-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 19h;

DOI:10.1021/ol047871o

upstream raw materials:

Isobutyl bromide

aniline

sodium isobutoxide

Acetanilid

Downstream raw materials:

4-isobutylaniline

1-(4-chloro-phenyl)-2-(N-isobutyl-anilino)-ethanone

C₃₀H₄₂N₃P

[3-(Isobutyl-phenyl-carbamoyloxy)-phenyl]-carbamic acid prop-2-ynyl ester

Refernces

• 1、 Liu, Lin,Li, Wenxiu,Qi, Ran,Zhu, Qingqing,Li, Jing,Fang, Yuzhen,Kong, Xiangjin. "Cobalt encapsulated in N?doped graphene sheet for one-pot reductive amination to synthesize secondary amines". . . Retrieved 2021/03/14.
• 2、 Warsitz, Michael,Doye, Sven. "Linear Hydroaminoalkylation Products from Alkyl-Substituted Alkenes". supporting information. p. 15121 - 15125. Retrieved 2020/10/23.