2,2-Dichlorooctanal

Base Information

• Chemical Name: 2,2-Dichlorooctanal
• CAS No.: 50735-74-5
• Molecular Formula: C8H14Cl2O
• Molecular Weight: 197.105
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID50369174
• Nikkaji Number: J1.052.802J
• Wikidata: Q82156211
• Mol file: 50735-74-5.mol

Synonyms:2,2-dichlorooctanal;50735-74-5;Octanal, 2,2-dichloro-;SCHEMBL7722176;DTXSID50369174;AKOS040732109;F9994-5486

Chemical Property of 2,2-Dichlorooctanal

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 0.129mmHg at 25°C
• Refractive Index: 1.446-1.448
• Boiling Point: 217.9 °C at 760 mmHg
• Flash Point: 87.1 °C
• PSA: 17.07000
• Density: 1.09 g/cm³
• LogP: 3.32960
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 196.0421705
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-DICHLOROOCTANAL 95.00% ^*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: CCCCCCC(C=O)(Cl)Cl

Technology Process of 2,2-Dichlorooctanal

There total 1 articles about 2,2-Dichlorooctanal 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-Octylamine (111-86-4) → n-chlorooctane (111-85-3) + caprylnitrile (124-12-9) + Octanoic acid (124-07-2) + 2,2-dichloro-octanal (50735-74-5)

Guidance literature:

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

DOI:10.1007/BF00952413

Reference yield: 92.0%

2,2-dichloro-octanal (50735-74-5) → 2,2-dichlorooctanoic acid (102272-30-0)

Guidance literature:

With nitric acid; sodium nitrite; In dichloromethane; at 20 ℃; for 192h;

DOI:10.1081/SCC-120030698

Reference yield:

2,2-dichloro-octanal (50735-74-5) → (R)-3-Benzyloxy-dec-4-yn-1-ol

Guidance literature:

Multi-step reaction with 4 steps

1.1: iPr₂NEt; quinidine / toluene / -25 - 25 °C

1.2: 0.96 g / DIBAL-H / CH₂Cl₂ / 0 - 25 °C

2.1: 68 percent / p-TsOH / CH₂Cl₂ / 4 h / 25 °C

3.1: 69 percent / DIBAL-H / CH₂Cl₂ / 0 - 25 °C

4.1: t-BuOK / tetrahydrofuran / 0 - 25 °C

With potassium tert-butylate; diisobutylaluminium hydride; toluene-4-sulfonic acid; N-ethyl-N,N-diisopropylamine; quinidine; In tetrahydrofuran; dichloromethane; toluene; 1.1: Cyclocondensation / 1.2: Reduction / 2.1: Cyclocondensation / 3.1: Reduction / 4.1: Dehydrochlorination;

DOI:10.1021/jo001010l

upstream raw materials:

n-Octylamine

Downstream raw materials:

2,2-dichlorooctanoic acid

(2R,4R)-4-(1,1-Dichloro-heptyl)-2-phenyl-[1,3]dioxane

(R)-3-Benzyloxy-4,4-dichloro-decan-1-ol

Refernces

• 1、 Troyanskii, E. I.,Svitan'ko, I. V.,Ioffe, V. A.,Nikishin, G. I.. "OXIDATIVE SUBSTITUTION OF THE AMINO GROUP IN PRIMARY ALIPHATIC ANINES". . p. 1932. Retrieved 2007/10/02.