1,1-Diethoxyhex-3-yne

Base Information

• Chemical Name: 1,1-Diethoxyhex-3-yne
• CAS No.: 18229-85-1
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2911000000
• European Community (EC) Number: 242-111-9
• UNII: G9YP8FUT5R
• DSSTox Substance ID: DTXSID90171278
• Nikkaji Number: J266.069E
• Wikidata: Q83041368
• Mol file: 18229-85-1.mol

Synonyms:1,1-Diethoxyhex-3-yne;18229-85-1;3-Hexyne, 1,1-diethoxy-;1,1-Diethoxy-3-hexyne;EINECS 242-111-9;G9YP8FUT5R;UNII-G9YP8FUT5R;DTXSID90171278;MFCD11554522;AKOS006318802

Chemical Property of 1,1-Diethoxyhex-3-yne

Chemical Property:

• Vapor Pressure: 0.203mmHg at 25°C
• Boiling Point: 216.7°Cat760mmHg
• Flash Point: 66.4°C
• PSA: 18.46000
• Density: 0.896g/cm³
• LogP: 2.18900
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

1,1-Diethoxyhex-3-yne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CCC(OCC)OCC

Technology Process of 1,1-Diethoxyhex-3-yne

There total 5 articles about 1,1-Diethoxyhex-3-yne 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: 98.0%

4,4-diethoxybut-1-yne (13397-78-9) + ethyl iodide (75-03-6) → 1,1-diethoxyhex-3-yne (18229-85-1)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; calcium carbonate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 66h;

DOI:10.1021/jo000537v

Reference yield:

2-hexynyl aldehyde diethyl acetal (18229-78-2) → 1,1-diethoxyhex-3-yne (18229-85-1)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide;

Reference yield:

3-hexyn-1-al (89533-67-5) + orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxyhex-3-yne (18229-85-1)

Guidance literature:

With camphor-10-sulfonic acid; In dichloromethane; at 20 ℃;

upstream raw materials:

2-hexynyl aldehyde diethyl acetal

4,4-diethoxybut-1-yne

ethyl iodide

3-hexyn-1-al

Downstream raw materials:

(Z)-3-hexenal diethyl acetal

(3Z)-hexenal

Refernces

• 1、 Sha, Wei,Salomon, Robert G.. "Total synthesis of 17-isolevuglandin E4 and the structure of C22-PGF(4α)". . p. 5315 - 5326. Retrieved 2007/10/03.