N-Chloroisopropylamine

Base Information

• Chemical Name: N-Chloroisopropylamine
• CAS No.: 26245-56-7
• Molecular Formula: C3H8 Cl N
• Molecular Weight: 93.5562
• Hs Code.: 2921199090
• European Community (EC) Number: 247-535-8
• UNII: VY3E772E6A
• DSSTox Substance ID: DTXSID9067192
• Nikkaji Number: J308.409D
• Wikidata: Q27292087
• Mol file: 26245-56-7.mol

Synonyms:N-Chloroisopropylamine;2-Propanamine, N-chloro-;26245-56-7;UNII-VY3E772E6A;VY3E772E6A;EINECS 247-535-8;ISOPROPYLCHLORAMINE;N-CHLORO-2-PROPANAMINE;DTXSID9067192;ETHYLAMINE, N-CHLORO-1-METHYL-;Q27292087

Chemical Property of N-Chloroisopropylamine

Chemical Property:

• Vapor Pressure: 130mmHg at 25°C
• Boiling Point: 70.2°C at 760 mmHg
• PKA: -0.11±0.70(Predicted)
• PSA: 12.03000
• Density: 0.948g/cm³
• LogP: 1.52910
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 93.0345270
• Heavy Atom Count: 5
• Complexity: 20.9

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCl

Technology Process of N-Chloroisopropylamine

There total 6 articles about N-Chloroisopropylamine 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: 88.0%

isopropylamine (75-31-0) → N-chloroisopropylamine (26245-56-7) + N,N-dichloroisopropylamine (10218-84-5)

Guidance literature:

With N-chloro-succinimide; under 0.004 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(01)86145-7

Reference yield:

isopropylamine (75-31-0) → N-chloroisopropylamine (26245-56-7)

Guidance literature:

With sodium hydroxide; chloroamine; In water; at 25 ℃; Rate constant; Mechanism; pH 7,95 - 12,90;

Reference yield:

1,3-dichloro-5,5-dimethylhydantoin (118-52-5) → N-chloroisopropylamine (26245-56-7)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo01092a006

upstream raw materials:

1,3-dichloro-5,5-dimethylhydantoin

isopropylamine

N-chloro-succinimide

Downstream raw materials:

isopropylamine

C₁₂H₁₇N₃O₃

4-(isopropylamino)anisole

4-fluoro-N-isopropyl-aniline

Refernces

• 1、 Na, Christina G.,Alexanian, Erik J.. "A General Approach to Site-Specific, Intramolecular C?H Functionalization Using Dithiocarbamates". supporting information. p. 13106 - 13109. Retrieved 2018/09/21.
• 2、 Ng, Ka-Ho,Zhou, Zhongyuan,Yu, Wing-Yiu. "[Cp*RhCl2]2-catalyzed ortho-C-H bond amination of acetophenone o-methyloximes with primary N-chloroalkylamines: Convenient synthesis of N-alkyl-2-acylanilines". supporting information. p. 7031 - 7033. Retrieved 2013/09/02.