1-Hexen-5-yn-3-ol

Base Information

• Chemical Name: 1-Hexen-5-yn-3-ol
• CAS No.: 1573-66-6
• Molecular Formula: C6H8O
• Molecular Weight: 96.1289
• European Community (EC) Number: 968-986-3
• DSSTox Substance ID: DTXSID10473948
• Nikkaji Number: J2.954.526J
• Mol file: 1573-66-6.mol

Synonyms:1-Hexen-5-yn-3-ol;Hex-1-en-5-yn-3-ol;1573-66-6;DTXSID10473948;EN300-6943023

Chemical Property of 1-Hexen-5-yn-3-ol

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 96

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(CC#C)O

Technology Process of 1-Hexen-5-yn-3-ol

There total 1 articles about 1-Hexen-5-yn-3-ol 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:

(+/-)-B-allenyl-10-trimethylsilyl-9-borabicyclo[3.3.2]decane (848617-96-9) + rac-pseudoephedrine (90-82-4,299-42-3,321-97-1,321-98-2,4125-58-0,34783-90-9,38732-95-5,53214-57-6,90-81-3,7009-81-6,90-83-5,6912-63-6) + acrolein (107-02-8,25068-14-8) → Methyl-[(1R,2R)-1-methyl-2-phenyl-2-((R)-10-trimethylsilanyl-9-bora-bicyclo[3.3.2]dec-9-yloxy)-ethyl]-amine + hex-1-en-5-yn-3-ol (1573-66-6)

Guidance literature:

(+/-)-B-allenyl-10-trimethylsilyl-9-borabicyclo[3.3.2]decane; acrolein; In diethyl ether; at -78 ℃;

rac-pseudoephedrine; In acetonitrile; for 4h; Heating;

DOI:10.1021/ol0476164

Reference yield: 100.0%

hex-1-en-5-yn-3-ol (1573-66-6) + tert-butylchlorodiphenylsilane (58479-61-1) → tert-Butyl-diphenyl-(1-vinyl-but-3-ynyloxy)-silane

Guidance literature:

With 1H-imidazole; In N,N-dimethyl-formamide;

DOI:10.1021/ja00252a031

Reference yield: 88.0%

hex-1-en-5-yn-3-ol (1573-66-6) + (S)-(+)-2-methoxy-2-trifluoromethyl-2-phenylacetyl chloride (39637-99-5,20445-33-4) → hex-1-en-5-yn-3-yl (R)-α-methoxy-α-(trifluoromethyl)phenylacetate

Guidance literature:

With dmap; In tetrahydrofuran; at 25 ℃; for 12h;

DOI:10.1021/ol0476164

upstream raw materials:

(+/-)-B-allenyl-10-trimethylsilyl-9-borabicyclo[3.3.2]decane

rac-pseudoephedrine

acrolein

Downstream raw materials:

4-phenylazo-benzoic acid-(1-vinyl-but-3-ynyl ester)

2-phenyl-1-hexen-5-yn-3-ol-6-d

3-<(p-tolylsulfonyl)oxy>-1-hexen-5-yne

(E)-(2R)-6(R,S)-(tert-butyldimethylsilanyloxy)-4-[3-(4-fluorobenzyloxy)propyl]octa-3,7-dien-2-ol