7-Chlorohept-1-yne

Base Information

• Chemical Name: 7-Chlorohept-1-yne
• CAS No.: 18804-36-9
• Molecular Formula: C7H11 Cl
• Molecular Weight: 130.617
• Hs Code.: 2903299090
• European Community (EC) Number: 818-512-5
• NSC Number: 116031
• DSSTox Substance ID: DTXSID40297452
• Wikidata: Q82038552
• Mol file: 18804-36-9.mol

Synonyms:7-chlorohept-1-yne;18804-36-9;1-Heptyne, 7-chloro-;7-chloro-1-heptyne;NSC116031;1-chloro-6-heptyne;SCHEMBL3679794;DTXSID40297452;MFCD19232028;AKOS006382360;NSC-116031;SY220544;EN300-333519

Chemical Property of 7-Chlorohept-1-yne

Chemical Property:

• Vapor Pressure: 2.53mmHg at 25°C
• Boiling Point: 164.8°Cat760mmHg
• Flash Point: 49.2°C
• PSA: 0.00000
• Density: 0.938g/cm³
• LogP: 2.41880
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 130.0549280
• Heavy Atom Count: 8
• Complexity: 77.6

Purity/Quality:

99% ^*data from raw suppliers

7-chlorohept-1-yne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCCCl

Technology Process of 7-Chlorohept-1-yne

There total 8 articles about 7-Chlorohept-1-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: 83.0%

1-hydroxy-6-heptyne (63478-76-2) → chloro-1 heptyne-6 (18804-36-9)

Guidance literature:

With pyridine; tin(ll) chloride; In dichloromethane; at 20 ℃; for 4.5h; Cooling with ice;

Reference yield:

7-chloro-1-(trimethylsilyl)-1-heptyne (127016-34-6) → chloro-1 heptyne-6 (18804-36-9)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃;

DOI:10.1021/ja043031t

Reference yield:

1-chloro-5-iodopentane (60274-60-4) → chloro-1 heptyne-6 (18804-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran; hexamethylphosphoric acid triamide / 0 - 20 °C

2: K₂CO₃ / methanol / 20 °C

With potassium carbonate; In tetrahydrofuran; methanol; N,N,N,N,N,N-hexamethylphosphoric triamide;

DOI:10.1021/ja043031t

upstream raw materials:

1-bromo-5-chloropentane

sodium acetylide

1-chloro-5-iodopentane

acetylene

Downstream raw materials:

2-(7-Phenyl-hept-6-ynyl)-isoindole-1,3-dione

Hepten-⁽⁶⁾-yl-(p-nitro-benzolsulfonat)

(-)-2-(hept-6-ynyl)-6,7-dimethoxy-1R-phenyl-1,2,3,4-tetrahydroisoquinoline

(+)-2-(hept-6-ynyl)-6,7-dimethoxy-1S-phenyl-1,2,3,4-tetrahydroisoquinoline