4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Base Information

• Chemical Name: 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
• CAS No.: 83942-13-6
• Molecular Formula: C7H7ClN2
• Molecular Weight: 154.599
• Hs Code.: 2933599090
• European Community (EC) Number: 815-926-8
• DSSTox Substance ID: DTXSID30536367
• Wikidata: Q72518443
• Mol file: 83942-13-6.mol

Synonyms:83942-13-6;4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-Chloro-6,7-dihydro-5H-cyclopentapyrimidine;4-chloro-5H,6H,7H-cyclopenta[d]pyrimidine;MFCD12755922;5H-Cyclopentapyrimidine, 4-chloro-6,7-dihydro-;4-chloro-5,6-dihydro-7H-cyclopenta[d]pyrimidine;SCHEMBL191834;DTXSID30536367;QFBRTAZCGKXPJK-UHFFFAOYSA-N;AMY20342;AKOS010640464;PB34729;AS-42810;SY011645;CS-0054605;EN300-65622;4-Chloro-6 pound not7-dihydro-5H-cyclopentapyrimidine;F8881-1295;Z813019322;4-HYDROXY-7-TRIFLUOROMETHYL-3-QUINOLINECARBOXYLICACID

Chemical Property of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Chemical Property:

• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: 196-197 °C
• Refractive Index: 1.59
• Boiling Point: 271.7 °C at 760 mmHg
• PKA: 1.07±0.20(Predicted)
• Flash Point: 144.3 °C
• PSA: 25.78000
• Density: 1.322 g/cm³
• LogP: 1.61870
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.0297759
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C1)N=CN=C2Cl

Technology Process of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

There total 10 articles about 4-chloro-6,7-dihydro-5H-cyclopenta[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: 98.0%

1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one → 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (83942-13-6)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 10h;

Reference yield: 95.0%

6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol (5661-01-8) → 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (83942-13-6)

Guidance literature:

With trichlorophosphate; In dichloromethane; for 4h; Reflux;

Reference yield: 76.0%

6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one (5661-01-8) → 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (83942-13-6)

Guidance literature:

With trichlorophosphate; for 3h; Reflux;

DOI:10.1016/j.bioorg.2019.102988

upstream raw materials:

6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol

methyl 2-oxocyclopentane-1-carboxylate

2aminocyclopentene-1-carboxylic acid methyl ester

2-formamidocyclopentene-1-carboxylic acid methyl ester

Downstream raw materials:

6H-Cyclopentenopyrimidin-7-thion

5H-6,7-dihydrocyclopentapyrimidine

4-amino-6,7-dihydro-5H-cyclopenta[1,2-d]pyrimidine

N-(5,6-dihydro-7H-cyclopenta[d]pyrimidin-4-yl)-4-[(1-benzyl-4-piperidinyliden)acetyl]aniline