2,2-Dichloropentanal

Base Information

• Chemical Name: 2,2-Dichloropentanal
• CAS No.: 41718-50-7
• Molecular Formula: C5H8Cl2O
• Molecular Weight: 155.024
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90369178
• Nikkaji Number: J1.052.800C
• Wikidata: Q82156221
• Mol file: 41718-50-7.mol

Synonyms:2,2-dichloropentanal;41718-50-7;2,2-dichloro-pentanal;SCHEMBL4682330;DTXSID90369178;LXYPCRVXVVHGJF-UHFFFAOYSA-N;2,2-Dichloropentanal, AldrichCPR;FT-0609216

Chemical Property of 2,2-Dichloropentanal

Chemical Property:

• Vapor Pressure: 3.51mmHg at 25°C
• Refractive Index: 1.442-1.444
• Boiling Point: 138-143 °C
• Flash Point: 53.9°C
• PSA: 17.07000
• Density: 1.181g/cm³
• LogP: 2.15930
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 153.9952203
• Heavy Atom Count: 8
• Complexity: 80.5

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-Dichloropentanal 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C=O)(Cl)Cl

Technology Process of 2,2-Dichloropentanal

There total 4 articles about 2,2-Dichloropentanal 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:

n-Pentylamine (110-58-7) → 1-Chloropentane (543-59-9) + pentanonitrile (110-59-8) + 2,2-dichloropentanal (41718-50-7) + valeric acid (109-52-4)

Guidance literature:

With sodium persulfate; copper dichloride; In water; at 80 ℃; for 4h; Product distribution;

DOI:10.1007/BF00952413

Reference yield:

Di-n-amylamine (2050-92-2) → 2,2-dichloropentanal (41718-50-7) + 2-chloropentanal (41718-47-2) + n-Pentylamine (110-58-7) + N-pentyl pentanamide (64891-11-8) + valeric acid (109-52-4)

Guidance literature:

With sodium persulfate; copper dichloride; In water; at 70 - 80 ℃; for 7.5h; Product distribution;

DOI:10.1007/BF00948513

Reference yield:

N-pentylidenehexan-1-amine (83867-80-5) → pentanal (110-62-3) + 2,2-dichloropentanal (41718-50-7)

Guidance literature:

With sodium persulfate; In water; at 70 - 80 ℃; for 4.5h; Product distribution;

DOI:10.1007/BF00954713

upstream raw materials:

n-Pentylamine

N-pentylidenehexan-1-amine

Di-n-amylamine

Downstream raw materials:

N-<1-p-Nitrophenylamino-2.2-dichlor>-pentylacetamid

N-<1-m-Nitrophenylamino-2.2-dichlor>-pentylacetamid

N-<1-p-Methoxyphenylamino-2.2-dichlor>-pentylacetamin

N-<1-Phenylhydrazyl-2.2-dichloro>-pentylacetamid

Refernces

• 1、 Troyanskii, E. I.,Ioffe, V. A.,Svitan'ko, I. V.,Nikishin, G. I.. "REACTION OF PRIMARY ALIPHATIC AMINES IN OXIDATION SYSTEMS CONTAINING SODIUM PEROXYDISULFATE". . p. 2299 - 2304. Retrieved 2007/10/02.