6-Heptyn-1-ol

Base Information

• Chemical Name: 6-Heptyn-1-ol
• CAS No.: 63478-76-2
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• Hs Code.: 2905290000
• European Community (EC) Number: 812-105-6
• DSSTox Substance ID: DTXSID40451552
• Nikkaji Number: J693.653I
• Wikidata: Q72481506
• Mol file: 63478-76-2.mol

Synonyms:7-Hydroxyhept-1-yne;Hept-6-yn-1-ol;SBB069606;

Chemical Property of 6-Heptyn-1-ol

Chemical Property:

• Vapor Pressure: 0.378mmHg at 25°C
• Melting Point: -20.62°C (estimate)
• Refractive Index: 1.452
• Boiling Point: 174.3 °C at 760 mmHg
• PKA: 15.14±0.10(Predicted)
• Flash Point: 92.8 °C
• PSA: 20.23000
• Density: 0.894 g/cm³
• LogP: 1.17230
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform, DIchloromethane, Methanol
• Water Solubility.: Soluble in chloroform, dichloromethane and methanol. Slightly soluble in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 77.6

Purity/Quality:

99% ^*data from raw suppliers

6-Heptyn-1-ol ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCCO
• Uses: 6-Heptyn-1-ol reagents used in the preparation of many cyclic compounds. 6-Heptyn-1-ol is used as a reagent in in the preparation of many cyclic compounds. It is also used as a Intermediate in organic synthesis.

Technology Process of 6-Heptyn-1-ol

There total 37 articles about 6-Heptyn-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%

3-heptyn-1-ol (14916-79-1) → 1-hydroxy-6-heptyne (63478-76-2)

Guidance literature:

With sodium hydride; Trimethylenediamine; at 20 ℃; for 0.666667h;

DOI:10.1021/jo971478x

Reference yield: 100.0%

hept-6-ynoic acid (30964-00-2) → 1-hydroxy-6-heptyne (63478-76-2)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1055/s-2001-16056

Reference yield: 99.0%

hep-2-yn-1-ol (1002-36-4) → 1-hydroxy-6-heptyne (63478-76-2)

Guidance literature:

With potassium hydride; 1,2-diaminopropan; In tetrahydrofuran; mineral oil; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201310280

upstream raw materials:

chloro-1 heptyne-6

6-bromohept-6-en-1-ol

tetrahydro-2-(6-heptynyloxy)-2H-pyran

hept-5-yn-1-ol

Downstream raw materials:

9-phenyl-8E-nonen-6-yn-1-ol

hept-5-yn-1-ol

(E)-1-(Phenylsulfonyl)oct-1-en-7-yn-3-ol

(E)-3-Ethoxymethoxy-1-(phenylsulfonyl)oct-1-en-7-yne

Refernces

• 1、 Denmark, Scott E.,Yang, Shyh-Ming. "Intramolecular silicon-assisted cross-coupling reactions: General synthesis of medium-sized rings containing a 1,3-cis-cis diene unit". . p. 2102 - 2103. Retrieved 2002.
• 2、 Kozytska, Mariya V.,Dudley, Gregory B.. "On the intramolecular pyrone Diels-Alder approach to basiliolide B". . p. 2899 - 2901. Retrieved 2008.
• 3、 Cohen, Yair,Marek, Ilan. "Directed Regioselective Carbometallation of 1,2-Dialkyl-Substituted Cyclopropenes". supporting information. p. 26368 - 26372. Retrieved 2021/11/10.
• 4、 Wang, Yamin,Pritchard, Gareth J.,Kimber, Marc C.. "Total Synthesis of the Tetrasubstituted Furan Fatty Acid Metabolite CeDFP via Au-Catalyzed Intermolecular Alkyne Hydroarylation". supporting information. p. 4892 - 4895. Retrieved 2019/06/27.