Methyl 2-undecynoate

Base Information

Chemical Name:Methyl 2-undecynoate
CAS No.:10522-18-6
Molecular Formula:C12H20 O2
Molecular Weight:196.29
Hs Code.:2916190090
NSC Number:289575
UNII:5Z9OPD17EP
DSSTox Substance ID:DTXSID70147017
Nikkaji Number:J534.197C
Wikidata:Q27263091
Metabolomics Workbench ID:44632
Mol file:10522-18-6.mol

Synonyms:Methyl 2-undecynoate;methyl undec-2-ynoate;10522-18-6;2-Undecynoic Acid Methyl Ester;Methyl decyne carbonate;2-Undecynoic acid, methyl ester;Methyl decine carbonate;UNII-5Z9OPD17EP;5Z9OPD17EP;NSC-289575;methyl undecynoate;methylundec-2-ynoate;SCHEMBL3503759;FEMA 2751;DTXSID70147017;CHEBI:172041;Methyl 2-undecynoate, AldrichCPR;METHYL 2-UNDECYNOATE [FHFI];LMFA07010946;MFCD00065417;NSC289575;AKOS009158880;NSC 289575;CS-0440546;FT-0636727;U0063;(S)-1-benzyl-3-Aminopiperidine Dihydrochloride;D92770;Q27263091

Suppliers and Price of Methyl 2-undecynoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TCI Chemical
Methyl 2-Undecynoate
25mL
$ 72.00

Crysdot
Methylundec-2-ynoate 95+%
100g
$ 314.00

American Custom Chemicals Corporation
2-UNDECYNOIC ACID METHYL ESTER 95.00%
25ML
$ 1146.51

AK Scientific
2-Undecynoicacidmethylester
25ml
$ 272.00

Total 14 raw suppliers

Chemical Property of Methyl 2-undecynoate

Chemical Property:

Boiling Point:280.6°Cat760mmHg
Flash Point:117°C
PSA：26.30000
Density:0.919g/cm³
LogP:2.91340
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:196.146329876
Heavy Atom Count:14
Complexity:207

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 2-Undecynoate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22
Safety Statements: 23-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCC#CC(=O)OC
Description Methyl 2-undecynoate has a powerful, waxy, green, floral odor with a sweet flavor reminiscent of violet. May be prepared by methylation of the corresponding acid at the boil in the presence of HCL or at room temperature in the presence of H2S04; the acid can be prepared from methyl nonyl ketone by reaction with phosphorous pentachloride, which yields the acetylenic compound; treatment of this with potassium carbonate yields undecyne, which is then converted to the acid by treatment with Na and methyl chlorocarbonate.

Technology Process of Methyl 2-undecynoate

There total 5 articles about Methyl 2-undecynoate 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: 47.0%

: 764-93-2
1-decyne

: 79-22-1
methyl chloroformate

: 10522-18-6
methyl undec-2-ynoate

Guidance literature:: 1-decyne; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

methyl chloroformate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 8h;
DOI:10.1021/jacs.7b07801

Reference yield:

: 153940-37-5
Undec-2-ynylsulfanyl-benzene

: 10522-18-6
methyl undec-2-ynoate

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine; sulfuryl chloride / CCl₄ / 0.5 h / 0 °C

2: sodium carbonate / 0.5 h / -20 °C

With pyridine; sulfuryl dichloride; sodium carbonate; In tetrachloromethane; 1: Chlorination / 2: Hydrolysis;
DOI:10.1080/00397919708005006