2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine

Base Information

• Chemical Name: 2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine
• CAS No.: 56946-65-7
• Molecular Formula: C8H7Cl2N
• Molecular Weight: 188.056
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50480792
• Mol file: 56946-65-7.mol

Synonyms:2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine;56946-65-7;5H-Cyclopenta[b]pyridine, 2,4-dichloro-6,7-dihydro-;SCHEMBL3467970;DTXSID50480792;JGQRPOZAIBSOHE-UHFFFAOYSA-N;AMY19395;MFCD15144700;AKOS016001825;CS-W001204;DS-2249;FT-0741579;2,4-dichloro-5H,6H,7H-cyclopenta[b]pyridine;2 pound not4-Dichloro-6 pound not7-dihydro-5H-cyclopenta[b]pyridine

Chemical Property of 2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine

Chemical Property:

• Boiling Point: 126-128 °C(Press: 11 Torr)
• PKA: 1.29±0.20(Predicted)
• PSA: 12.89000
• Density: 1.386±0.06 g/cm3(Predicted)
• LogP: 2.87710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 186.9955546
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine

There total 5 articles about 2,4-Dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine 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:

P,P-dichlorophenylphosphine oxide (824-72-6) + 6,7-dihydro-5H-cyclopenta[b]pyridine-2,4-diol (55618-81-0) → 2,4-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine (56946-65-7)

Guidance literature:

at 180 ℃;

DOI:10.1021/ja01553a042

Reference yield:

6,7-dihydro-5H-cyclopenta[b]pyridine-2,4-diol (55618-81-0) → 2,4-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine (56946-65-7)

Guidance literature:

With trichlorophosphate; at 180 ℃;

DOI:10.1002/hlca.6602801233

Reference yield:

ethyl 2-amino-1-cyclopentene-1-carboxylate (7149-18-0) → 2,4-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine (56946-65-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium ethylate; ethanol / 110 °C

2: water; hydrochloric acid

3: phosphoryl chloride / 180 °C

With hydrogenchloride; ethanol; water; sodium ethanolate; trichlorophosphate;

DOI:10.1002/hlca.6602801233

upstream raw materials:

P,P-dichlorophenylphosphine oxide

6,7-dihydro-5H-cyclopenta[b]pyridine-2,4-diol

ethyl 2-amino-1-cyclopentene-1-carboxylate

2,4-dihydroxy-6,7-dihydro-5H-[1]pyrindine-3-carboxylic acid ethyl ester

Downstream raw materials:

2,3-cyclopentenopyridine

5H-1-pyrindine

6,7-dihydro-5H-cyclopenta[b]pyridine 1-oxide

(+/-)-trans-octahydro[1]pyrindine

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