3-Octyn-1-ol

Base Information

• Chemical Name: 3-Octyn-1-ol
• CAS No.: 14916-80-4
• Molecular Formula: C8H14 O
• Molecular Weight: 126.199
• Hs Code.: 29052900
• European Community (EC) Number: 238-986-1
• NSC Number: 67251
• UNII: PJK55CL7Z5
• DSSTox Substance ID: DTXSID8065828
• Nikkaji Number: J126.452D
• Wikidata: Q64371262
• Mol file: 14916-80-4.mol

Synonyms:3-Octyn-1-ol;oct-3-yn-1-ol;14916-80-4;PJK55CL7Z5;EINECS 238-986-1;MFCD00039552;NSC 67251;NSC-67251;AI3-07044;3-octyne-1-ol;1-Hydroxyoctin-(3);UNII-PJK55CL7Z5;3-Octyn-1-ol, 97%;SCHEMBL487757;DTXSID8065828;NSC67251;AKOS015839485;FS-4073;SY049758;CS-0315148;FT-0616290;O0141;D91816;A808855;W-108091

Chemical Property of 3-Octyn-1-ol

Chemical Property:

• Appearance/Colour: clear to yellowish oily liquid
• Vapor Pressure: 0.031mmHg at 25°C
• Melting Point: -39°C (estimate)
• Refractive Index: 1.4555 - 1.4575
• Boiling Point: 86 - 88 C at 9 mm Hg
• PKA: 14.34±0.10(Predicted)
• Flash Point: > 110 C
• PSA: 20.23000
• Density: 0.876
• LogP: 1.56240
• Water Solubility.: It is soluble in water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 104

Purity/Quality:

98% ^*data from raw suppliers

3-Octyn-1-ol 98+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC#CCCO
• Uses: 3-Octyn-1-ol, is used for a study of the reduction of acetylenic compounds, including this alcohol, to (E)-alkenes by alkali metals in liquid ammonia. Some other applications includes as corrosion inhibitor formulation, metal complex solution, solvent stabilizer, biodegradable chemical intermediate to make pharmaceuticals, chemical compound synthesis and reagents 3-Octyn-1-ol may be used in the preparation of:(3Z)-octen-1-ol7-octyn-1-ol3-cis-octenoic acid

Technology Process of 3-Octyn-1-ol

There total 15 articles about 3-Octyn-1-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: 93.0%

1-methoxy-4-(oct-3-yn-1-yloxy)methylbenzene → oct-3-yn-1-ol (14916-80-4)

Guidance literature:

With acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; sodium nitrite; at 20 ℃; for 18h; chemoselective reaction; Green chemistry;

DOI:10.1016/j.tet.2014.07.003

Reference yield: 86.0%

2-(3-octyn-1-yloxy)tetrahydro-2H-pyran (85217-50-1) → oct-3-yn-1-ol (14916-80-4)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; water; at 23 ℃; Inert atmosphere;

DOI:10.1002/anie.201108714

Reference yield: 65.0%

1-hexynyllithium (17689-03-1) + 2-chloroetyl vinyl ether (110-75-8) → oct-3-yn-1-ol (14916-80-4)

Guidance literature:

With iron(III)-acetylacetonate; In diethyl ether; ammonia; from -30 to 20 deg C, 15 h;

DOI:10.1007/BF00574215

upstream raw materials:

oxirane

hexenylmagnesium bromide

sodium butylacetylide

hex-1-yne

Downstream raw materials:

oct-7-yn-1-ol

oct-3-ynyl 4-methylbenzenesulfonate

C₁₄H₁₉NO₃S

C₁₄H₁₉NO₃S

Refernces

• 1、 Danehy,Vogt,Nieuwland. "". . p. 2790. Retrieved 1934.
• 2、 D’yakonov, Vladimir A.,Makarov, Alexey A.,Dzhemileva, Lilya U.,Ramazanov, Ilfir R.,Makarova, Elina Kh.,Dzhemilev, Usein M.. "Natural trienoic acids as anticancer agents: First stereoselective synthesis, cell cycle analysis, induction of apoptosis, cell signaling and mitochondrial targeting studies". . . Retrieved 2021/04/13.
• 3、 Rooke, Douglas A.,Ferreira, Eric M.. "Platinum-catalyzed hydrosilylations of internal alkynes: Harnessing substituent effects to achieve high regioselectivity". supporting information; experimental part. p. 3225 - 3230. Retrieved 2012/05/31.