4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine

Base Information

• Chemical Name: 4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine
• CAS No.: 111896-77-6
• Molecular Formula: C₈H₁₀ClN₃
• Molecular Weight: 183.64
• Hs Code.: 2933998090
• European Community (EC) Number: 837-013-3
• DSSTox Substance ID: DTXSID80547286
• Wikidata: Q82425409

Synonyms:4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine;111896-77-6;4-Chloro-5,6,7,8-tetrahydro-quinazolin-2-ylamine;SCHEMBL1617798;DTXSID80547286;BTLNLOHFQGIGLV-UHFFFAOYSA-N;AKOS002675819;CS-0451197;EN300-256415;G10450;4-Chloro-5,6,7,8-tetrahydroquinazolin-2-ylamine;4-chloro-5,6,7,8-tetrahydroquinazoline-2-ylamine;F2158-2321

Chemical Property of 4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 183.0563250
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=NC(=N2)N)Cl

Technology Process of 4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine

There total 4 articles about 4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine 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: 70.0%

2-amino-4-hydroxy-5,6-tetramethylenepyrimidine (33081-07-1) → 4-chloro-5,6,7,8-tetrahydroquinazoline-2-ylamine (111896-77-6)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate; at 135 - 140 ℃; for 1h;

DOI:10.1248/cpb.34.4150

Reference yield:

2-(methoxycarbonyl)cyclohexanone (41302-34-5) → 4-chloro-5,6,7,8-tetrahydroquinazoline-2-ylamine (111896-77-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate / methanol / 23 - 60 °C

2: tetraethylammonium chloride; N,N-dimethyl-aniline; trichlorophosphate / acetonitrile / 0.33 h / 110 °C

With potassium tert-butylate; tetraethylammonium chloride; N,N-dimethyl-aniline; trichlorophosphate; In methanol; acetonitrile;

DOI:10.1021/jm401727m

Reference yield:

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 4-chloro-5,6,7,8-tetrahydroquinazoline-2-ylamine (111896-77-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) conc. HCl; 2.) 5percent NaOH / 1.) EtOH, reflux, 1.5 h; 2.) H₂O, reflux, 1 h

2: 70 percent / POCl₃, N,N-dimethylaniline / 1 h / 135 - 140 °C

With hydrogenchloride; sodium hydroxide; N,N-dimethyl-aniline; trichlorophosphate;

DOI:10.1248/cpb.34.4150

upstream raw materials:

2-amino-4-hydroxy-5,6-tetramethylenepyrimidine

ethyl 2-oxocyclohexane carboxylate

2-(methoxycarbonyl)cyclohexanone

Downstream raw materials:

N-(2-Amino-5,6,7,8-tetrahydroquinazoline-4-yl)-N-(cyclohexylmethyl)amine

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