7-Iodohept-1-yne

Base Information

• Chemical Name: 7-Iodohept-1-yne
• CAS No.: 87462-66-6
• Molecular Formula: C7H11I
• Molecular Weight: 222.069
• DSSTox Substance ID: DTXSID20534019
• Nikkaji Number: J1.714.284D
• Wikidata: Q82407623

Synonyms:1-Heptyne, 7-iodo-;87462-66-6;7-IODOHEPT-1-YNE;7-iodo-1-heptyne;SCHEMBL3685325;DTXSID20534019;F80839

Chemical Property of 7-Iodohept-1-yne

Chemical Property:

• PSA: 0.00000
• LogP: 2.61500
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 221.99055
• Heavy Atom Count: 8
• Complexity: 77.6

Purity/Quality:

7-Iodo-1-heptyne 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCCI

Technology Process of 7-Iodohept-1-yne

There total 7 articles about 7-Iodohept-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: 82.0%

hept-6-yn-1-yl 4-methylbenzenesulfonate (87462-63-3) → 1-iodo-6-heptyne (87462-66-6)

Guidance literature:

With sodium iodide; In butanone;

DOI:10.1021/jm00367a011

Reference yield: 44.0%

1-bromo-5-chloropentane (54512-75-3) + lithium acetylide ethylenediamine complex → 1-iodo-6-heptyne (87462-66-6)

Guidance literature:

1-bromo-5-chloropentane; lithium acetylide ethylenediamine complex; In dimethyl sulfoxide; at 0 ℃; for 1h; Inert atmosphere;

With sodium iodide; In acetone; for 16h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201610279

Reference yield:

chloro-1 heptyne-6 (18804-36-9) → 1-iodo-6-heptyne (87462-66-6)

Guidance literature:

With sodium iodide; In acetone; at 80 ℃; for 48h;

DOI:10.1021/ja043031t

upstream raw materials:

hept-6-yn-1-yl 4-methylbenzenesulfonate

chloro-1 heptyne-6

1-chloro-5-iodopentane

7-chloro-1-(trimethylsilyl)-1-heptyne

Downstream raw materials:

(-)-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

4-(3'-chloro-4'-fluoroanilino)-6-(hept-6-ynyloxy)-7-methoxyquinazoline

ethyl 2-(diphenylmethyleneamino)-7-(1-(2-(4-pentylbenzamido)ethyl)-1H-1,2,3-triazol-4-yl)heptanoate

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