7-Octyn-1-ol

Base Information

• Chemical Name: 7-Octyn-1-ol
• CAS No.: 871-91-0
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• Hs Code.: 2905290000
• European Community (EC) Number: 844-109-9
• DSSTox Substance ID: DTXSID6061234
• Nikkaji Number: J421.540K
• Wikidata: Q65038609
• Mol file: 871-91-0.mol

Synonyms:7-Octyn-1-ol;871-91-0;oct-7-yn-1-ol;8-hydroxy-1-octyne;7-octyne-1-ol;MFCD01632137;7-Octyn-1-ol, AldrichCPR;SCHEMBL130671;DTXSID6061234;AKOS005137929;CS-W008554;BP-29666;DS-14712;SY051403;FT-0653457;O0445;EN300-99429;A842029;J-519326;Z1198157198

Chemical Property of 7-Octyn-1-ol

Chemical Property:

• Vapor Pressure: 0.138mmHg at 25°C
• Melting Point: -39°C (estimate)
• Refractive Index: 1.454
• Boiling Point: 191.5 °C at 760 mmHg
• PKA: 15.17±0.10(Predicted)
• Flash Point: 116.3 °C
• PSA: 20.23000
• Density: 0.889 g/cm³
• LogP: 1.56240
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 88

Purity/Quality:

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

7-Octyn-1-ol ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCCCO
• Uses: 7-Octyn-1-ol is used in the synthesis of the sex pheromone of the citrus leafminer, Phyllocnistis citrella.

Technology Process of 7-Octyn-1-ol

There total 25 articles about 7-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: 100.0%

oct-3-yn-1-ol (14916-80-4) → oct-7-yn-1-ol (871-91-0)

Guidance literature:

With sodium hydride; In ethylenediamine; mineral oil; at 45 - 65 ℃;

DOI:10.1021/ol401275f

Reference yield: 96.0%

oct-7-ynoic acid (10297-09-3) → oct-7-yn-1-ol (871-91-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ol500206w

Reference yield: 91.0%

2-octyn-1-ol (20739-58-6) → oct-7-yn-1-ol (871-91-0)

Guidance literature:

With sodium hydride; Trimethylenediamine; In hexane; mineral oil; at 0 - 20 ℃; for 3h;

DOI:10.1007/s11745-017-4303-9

upstream raw materials:

oct-3-yn-1-ol

2-octyn-1-ol

Oct-1-en-4-yne

1-(2-Tetrahydropyranyloxy)-7-octyne

Downstream raw materials:

7,9-hexadecadiyne-1,16-diyl bis-N-phenylcarbamate

7,9-hexadecadiyne-1,16-diyl bis-N-(4-dimethylaminophenyl)carbamate

(E)-7-Decen-1-ol

(Z)-7-decenyl acetate

Refernces

• 1、 Lin, Hong-Yu,Haegele, Joseph A.,Disare, Michael T.,Lin, Qishan,Aye, Yimon. "A generalizable platform for interrogating target- and signal-specific consequences of electrophilic modifications in redox-dependent cell signaling". . p. 6232 - 6244. Retrieved 2015.
• 2、 Shi, Ce,Aldrich, Courtney C.. "Design and synthesis of potential mechanism-based inhibitors of the aminotransferase BioA involved in biotin biosynthesis". . p. 6051 - 6058. Retrieved 2012.
• 3、 Brown,C.A.,Negishi,E.-I.. "-". . p. 318 - 319. Retrieved 1977.
• 4、 Steib, Philip,Breit, Bernhard. "Enantioselective Rhodium-Catalyzed Dimerization of ω-Allenyl Carboxylic Acids: Straightforward Synthesis of C2-Symmetric Macrodiolides". supporting information. p. 6572 - 6576. Retrieved 2018/05/08.
• 5、 Shimada, Kazuaki,Sugawara, Ayako,Korenaga, Toshinobu,Kawashima, Hideki. "Total Synthesis and Structural Elucidation of Two Unusual Non-Methylene-Interrupted Fatty Acids in Ovaries of the Limpet Cellana toreuma". . p. 1019 - 1032. Retrieved 2017/10/07.