4-Chloro-2-(chloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-2-(chloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
• CAS No.: 88203-17-2
• Molecular Formula: C₁₁H₁₀Cl₂N₂S
• Molecular Weight: 273.186
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20368513
• Nikkaji Number: J284.274B
• Wikidata: Q82155099
• Mol file: 88203-17-2.mol

Synonyms:88203-17-2;4-Chloro-2-(chloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine;4-chloro-2-(chloromethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-Chloro-2-(chloromethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine;[1]Benzothieno[2,3-d]pyrimidine,4-chloro-2-(chloromethyl)-5,6,7,8-tetrahydro-;4-Chloro-2-chloromethyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine;Enamine_005507;DTXSID20368513;HMS1409K07;AKOS008966889;CS-0219934;EN300-05362;SR-01000040631;SR-01000040631-1;Z56895732;4-Chloro-5,6,7,8-tetrahydro-2-chloromethyl[1]benzothieno[2,3-d]pyrimidine;3-chloro-5-(chloromethyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene;3-chloro-5-(chloromethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene

Chemical Property of 4-Chloro-2-(chloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

Chemical Property:

• Vapor Pressure: 0.000144mmHg at 25°C
• Refractive Index: 1.677
• Boiling Point: 342.9°C at 760 mmHg
• Flash Point: 161.2°C
• PSA: 54.02000
• Density: 1.469g/cm³
• LogP: 3.96230
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.9941749
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

4-CHLORO-2-CHLOROMETHYL-5,6,7,8-TETRAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C3=C(S2)N=C(N=C3Cl)CCl

Technology Process of 4-Chloro-2-(chloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

There total 2 articles about 4-Chloro-2-(chloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine 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: 69.0%

3-cyano-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene (4651-91-6) + chloroacetonitrile (107-14-2) → 4-Chloro-2-chloromethyl-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidine (88203-17-2)

Guidance literature:

hydrogenchloride; In 1,4-dioxane; for 12h; Ambient temperature;

Reference yield: 55.0%

2-(chloromethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (89567-03-3) → 4-Chloro-2-chloromethyl-5,6,7,8-tetrahydrobenzothieno<2,3-d>pyrimidine (88203-17-2)

Guidance literature:

With trichlorophosphate; for 12h; Heating;

upstream raw materials:

2-(chloromethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

3-cyano-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene

chloroacetonitrile

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