Tert-butyl 6-iodohexylcarbamate

Base Information

• Chemical Name: Tert-butyl 6-iodohexylcarbamate
• CAS No.: 172846-36-5
• Molecular Formula: C11H22INO2
• Molecular Weight: 327.206
• European Community (EC) Number: 842-904-5
• DSSTox Substance ID: DTXSID00442582
• Nikkaji Number: J1.543.280B
• Mol file: 172846-36-5.mol

Synonyms:172846-36-5;TERT-BUTYL 6-IODOHEXYLCARBAMATE;tert-Butyl (6-iodohexyl)carbamate;Tert-butyl N-(6-iodohexyl)carbamate;LCZC2473;SCHEMBL1616400;Carbamic acid, (6-iodohexyl)-, 1,1-dimethylethyl ester;tert-Butyl(6-iodohexyl)carbamate;DTXSID00442582;LOAMYYKULCCZAM-UHFFFAOYSA-N;ZB0191;6-Iodohexyl(tert-butoxycarbonyl)amine;BP-28398;N-tert-butoxycarbonyl-6-amino-1-iodohexane;CS-0375733;E84258;EN300-220342;A1-05551

Chemical Property of Tert-butyl 6-iodohexylcarbamate

Chemical Property:

• PSA: 41.82000
• LogP: 3.71090
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 327.06953
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl N-(6-iodohexyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCCCCI
• Description: tert-Butyl (6-iodohexyl)carbamate is a six carbon linker containing an iodine group and a t-butyl ester. The iodine (I) acts as a good leaving group for nucleophilic substitution reactions. The t-butyl ester groups can be deprotected under acidic conditions.

Technology Process of Tert-butyl 6-iodohexylcarbamate

There total 9 articles about Tert-butyl 6-iodohexylcarbamate 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: 91.0%

6-((tert-butoxycarbonyl)amino)hexyl 4-methylbenzenesulfonate (86536-92-7) → (6-iodohexyl)-carbamic acid 1,1-dimethylethyl ester (172846-36-5)

Guidance literature:

With sodium iodide; In acetone; Reflux;

Reference yield: 89.0%

6-(Boc-amino)-1-hexanol (75937-12-1) → (6-iodohexyl)-carbamic acid 1,1-dimethylethyl ester (172846-36-5)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In diethyl ether; acetonitrile; at 0 ℃; for 1h;

Reference yield:

6-amino-1-hexanol (4048-33-3) → (6-iodohexyl)-carbamic acid 1,1-dimethylethyl ester (172846-36-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 99 percent / methanol / 1.5 h / 20 °C

2: Et₃N / CH₂Cl₂ / 2 h / 20 °C

3: 1.8 g / NaI / acetonitrile / 18 h / 20 °C

With triethylamine; sodium iodide; In methanol; dichloromethane; acetonitrile;

DOI:10.1021/jo001442w

upstream raw materials:

6-(Boc-amino)-1-hexanol

tert-butyl [6-[(methylsulphonyl)oxy]hexyl]carbamate

6-amino-1-hexanol

di-tert-butyl dicarbonate

Downstream raw materials:

tert-butyl (6-((4-methoxybenzyl)oxy)hexyl)carbamate

Br^(1-)*C₃₃H₄₈NO₃P₂⁽¹⁺⁾

Br^(1-)*C₃₂H₄₆NO₃P₂⁽¹⁺⁾

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