2-(chloromethyl)-1H-perimidine hydrochloride

Base Information

• Chemical Name: 2-(chloromethyl)-1H-perimidine hydrochloride
• CAS No.: 125983-34-8
• Molecular Formula: C₁₂H₉ClN₂
• Molecular Weight: 216.67
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL1309043
• DSSTox Substance ID: DTXSID80583260
• Mol file: 125983-34-8.mol

Synonyms:2-(chloromethyl)-1H-perimidine hydrochloride;125983-34-8;2-(chloromethyl)-1H-perimidine;hydrochloride;109735-97-9;MLS000391331;CHEMBL1309043;DTXSID80583260;AKOS027379337;SMR000260368;2-(chloromethyl)-1H-perimidinehydrochloride;CS-0300064;EN300-06246;SR-01000043551;SR-01000043551-1;Z56917406;2-(Chloromethyl)-1H-perimidine--hydrogen chloride (1/1)

Chemical Property of 2-(chloromethyl)-1H-perimidine hydrochloride

Chemical Property:

• Vapor Pressure: 1.37E-07mmHg at 25°C
• Boiling Point: 429.7°Cat760mmHg
• Flash Point: 213.7°C
• PSA: 28.68000
• Density: 1.36g/cm³
• LogP: 4.25690
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 252.0221037
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

2-(Chloromethyl)-1H-perimidinehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)NC(=NC3=CC=C2)CCl.Cl

Technology Process of 2-(chloromethyl)-1H-perimidine hydrochloride

There total 2 articles about 2-(chloromethyl)-1H-perimidine hydrochloride 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: 73.0%

chloroacetyl chloride (79-04-9) + naphthalene-1,8-diamine (479-27-6) → 2-chloromethylperimidine (125983-34-8)

Guidance literature:

In benzene; at 15 - 20 ℃; for 0.5h;

Reference yield:

chloroacetic acid (79-11-8) + naphthalene-1,8-diamine (479-27-6) → 2-chloromethylperimidine (125983-34-8)

Guidance literature:

With hydrogenchloride; microwave irradiation;

DOI:10.1080/104265090930191

Reference yield: 59.0%

N-hydroxy-4-methylbenzenecarboximidoyl chloride (36288-37-6) + 2-chloromethylperimidine (125983-34-8) → 11-p-Tolyl-8H-9-oxa-7,10,11a-triaza-benzo[de]anthracene (73721-30-9)

Guidance literature:

With triethylamine; In methanol; 1.) 30 deg C, 2 h, 2.) 40-50 deg C, 1 h, 3.) reflux, 2 h;

upstream raw materials:

chloroacetyl chloride

naphthalene-1,8-diamine

chloroacetic acid

Downstream raw materials:

11-(4-Chloro-phenyl)-8H-9-oxa-7,10,11a-triaza-benzo[de]anthracene

11-(2-Chloro-phenyl)-8H-9-oxa-7,10,11a-triaza-benzo[de]anthracene

11-p-Tolyl-8H-9-oxa-7,10,11a-triaza-benzo[de]anthracene

4-phenyl-1H-<1,2,4>oxadiazino<4,5-a>perimidine

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