tert-Butyl (7-bromoheptyl)carbamate

Base Information

• Chemical Name: tert-Butyl (7-bromoheptyl)carbamate
• CAS No.: 142356-34-1
• Molecular Formula: C12H24BrNO2
• Molecular Weight: 294.232
• European Community (EC) Number: 965-631-4
• Mol file: 142356-34-1.mol

Synonyms:142356-34-1;tert-Butyl (7-bromoheptyl)carbamate;(7-Bromoheptyl)carbamic acid tert-butyl ester;Tert-butyl N-(7-bromoheptyl)carbamate;N-Boc-7-bromoheptan-1-amine;tert-Butyl(7-bromoheptyl)carbamate;MFCD22576425;1-(Boc-amino)-7-bromoheptane;SCHEMBL21596987;t-Butyl (7-bromoheptyl)carbamate;VKBIPAHIGAUNSX-UHFFFAOYSA-N;AMY16267;tert-butyl-(7-bromoheptyl)carbamate;AKOS027339763;AS-47097;SY164387;CS-0090444;EN300-181798;F12035;A928710;A1-02856

Chemical Property of tert-Butyl (7-bromoheptyl)carbamate

Chemical Property:

• Boiling Point: 355℃
• PKA: 12.93±0.46(Predicted)
• Flash Point: 169℃
• PSA: 41.82000
• Density: 1.166
• LogP: 4.06090
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 293.09904
• Heavy Atom Count: 16
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(7-bromoheptyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCCCCCBr

Technology Process of tert-Butyl (7-bromoheptyl)carbamate

There total 3 articles about tert-Butyl (7-bromoheptyl)carbamate 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:

(7-hydroxyheptyl)carbamic acid tert-butyl ester (173436-02-7) → 7-amino>heptyl bromide (142356-34-1)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; acetonitrile; for 24h;

DOI:10.1021/jm00042a007

Reference yield:

7-bromo-heptanonitrile (20965-27-9) + di-tert-butyl dicarbonate (24424-99-5) → 7-amino>heptyl bromide (142356-34-1)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride;

Reference yield:

7-[(tert-butoxycarbonyl)amino]heptanoic acid (60142-89-4) → 7-amino>heptyl bromide (142356-34-1)

Guidance literature:

Multi-step reaction with 2 steps

1: BH₃ / tetrahydrofuran / 1 h

2: Ph₃P, CBr₄ / tetrahydrofuran; acetonitrile / 24 h

With carbon tetrabromide; borane; triphenylphosphine; In tetrahydrofuran; acetonitrile;

DOI:10.1021/jm00042a007

upstream raw materials:

(7-hydroxyheptyl)carbamic acid tert-butyl ester

7-[(tert-butoxycarbonyl)amino]heptanoic acid

7-bromo-heptanonitrile

di-tert-butyl dicarbonate

Downstream raw materials:

(S)-2-Benzyloxycarbonylamino-3-[4-(7-tert-butoxycarbonylamino-heptyloxy)-phenyl]-propionic acid

3-[1-(7-tert-butoxycarbonylaminoheptyl)-1,2,3,6-tetrahydro-4-pyridyl]-5-(benzyloxy)-1H-indole

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