Carbonochloridic acid, heptyl ester

Base Information

• Chemical Name: Carbonochloridic acid, heptyl ester
• CAS No.: 33758-34-8
• Molecular Formula: C8H15ClO2
• Molecular Weight: 178.659
• European Community (EC) Number: 679-599-1
• UNII: G7RA475FEX
• DSSTox Substance ID: DTXSID2067793
• Nikkaji Number: J150.905E
• Wikidata: Q72481409
• Mol file: 33758-34-8.mol

Synonyms:Heptyl Chloroformate;heptyl carbonochloridate;33758-34-8;Carbonochloridic acid, heptyl ester;n-Heptyl chloroformate;Chloroformic Acid n-Heptyl Ester;heptyl chlorocarbonate;Chloroformic Acid Heptyl Ester;heptylchloroformate;1-Heptyl chloroformate;starbld0016563;n-Heptyl carbonochloridate;Heptyl chloridocarbonate #;G7RA475FEX;SCHEMBL1206999;DTXSID2067793;CHLOROFORMICACIDHEPTYLESTER;SATRZZYUXUGZIE-UHFFFAOYSA-;AMY3945;carbonochloridic acid heptyl ester;Formic acid, chloro-, heptyl ester;Heptyl chloridocarbonate, AldrichCPR;MFCD00059484;AKOS006229804;AS-37847;FT-0689108

Chemical Property of Carbonochloridic acid, heptyl ester

Chemical Property:

• Vapor Pressure: 0.213mmHg at 25°C
• Refractive Index: 1.434
• Boiling Point: 208.5 °C at 760 mmHg
• Flash Point: 64.4 °C
• PSA: 26.30000
• Density: 1.018 g/cm³
• LogP: 3.33220
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 178.0760574
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Heptyl Chloroformate >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 10-23/24/25-34-43-41-22
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC(=O)Cl

Technology Process of Carbonochloridic acid, heptyl ester

There total 3 articles about Carbonochloridic acid, heptyl ester 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: 84.6%

n-heptan1ol (111-70-6) + bis(trichloromethyl) carbonate (32315-10-9) → n-heptyl chloroformate (33758-34-8)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

phosgene (75-44-5) + n-heptan1ol (111-70-6) → n-heptyl chloroformate (33758-34-8)

Guidance literature:

Reference yield:

→ n-heptyl chloroformate (33758-34-8)

Guidance literature:

ROH, COCl2;

upstream raw materials:

phosgene

n-heptan1ol

bis(trichloromethyl) carbonate

Downstream raw materials:

carbonic acid heptyl ester-(2-nitro-phenyl ester)

[4-(2-morpholino-ethoxy)-phenyl]-carbamic acid heptylester; hydrochloride

4-Methyl-6-(3-nitro-phenyl)-2-oxo-3,6-dihydro-2H-pyrimidine-1,5-dicarboxylic acid 5-ethyl ester 1-heptyl ester

(S)-2-Octanol

Refernces

• 1、 Shi, Haibo,Hu, Weixiao,Sun, Yaquan. "Preparation of chloroformates using bis(trichloromethyl)carbonate". . p. 708 - 709. Retrieved 2007/10/03.