Tert-butyl 6-bromohexanoate

Base Information

• Chemical Name: Tert-butyl 6-bromohexanoate
• CAS No.: 65868-63-5
• Molecular Formula: C10H19BrO2
• Molecular Weight: 251.164
• European Community (EC) Number: 835-637-0
• DSSTox Substance ID: DTXSID40468428
• Nikkaji Number: J1.476.661H
• Wikidata: Q82295617
• Mol file: 65868-63-5.mol

Synonyms:Tert-butyl 6-bromohexanoate;65868-63-5;t-butyl 6-bromohexanoate;MFCD00457120;6-bromohexanoic acid tert-butyl ester;Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester;t-butyl-6-bromohexanoate;Tert-butyl6-bromohexanoate;SCHEMBL719265;DTXSID40468428;PSELCIMQRLODQE-UHFFFAOYSA-N;6-bromohexanoic acid-tert-butyl ester;AKOS016033303;6-Bromo-hexanoic acid tert-butyl ester;s11937;AS-54550;SY246620;CS-0062724;EN300-6486862;A913880

Chemical Property of Tert-butyl 6-bromohexanoate

Chemical Property:

• Boiling Point: 256.3±23.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.194±0.06 g/cm3(Predicted)
• LogP: 3.28340
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 250.05684
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 6-bromohexanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 6-bromohexanoate

There total 13 articles about Tert-butyl 6-bromohexanoate 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: 98.0%

6-bromohexanoic acid (4224-70-8) + tert-butyl alcohol (75-65-0) → tert-butyl 6-bromohexanoate (65868-63-5)

Guidance literature:

6-bromohexanoic acid; With trifluoroacetic anhydride; In tetrahydrofuran; at 20 ℃; for 1h;

tert-butyl alcohol; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield: 93.0%

6-bromohexanoic acid (4224-70-8) + isobutene (115-11-7,15220-85-6) → tert-butyl 6-bromohexanoate (65868-63-5)

Guidance literature:

With sulfuric acid; In dichloromethane; Ambient temperature;

DOI:10.1021/jo01303a029

Reference yield: 80.0%

6-bromohexanoyl chloride (22809-37-6) → tert-butyl 6-bromohexanoate (65868-63-5)

Guidance literature:

In ethyl acetate; tert-butyl alcohol;

upstream raw materials:

6-bromohexanoic acid

isobutene

tert-butyl alcohol

6-bromohexanoyl chloride

Downstream raw materials:

ester t-butylique de l'acide 6-iodo hexanoieque

tert-butyl 6-hydroxyhexanoate

6-{(4aR,4bS,6aR,7R,9aS,9bS,11aR)-7-[(R)-4-(4-Cyano-benzyloxy)-1-methyl-butyl]-4a,6a-dimethyl-hexadecahydro-indeno[5,4-f]quinolin-1-yl}-hexanoic acid tert-butyl ester

5-ethynylfluorescein-(5-tert-butoxycarbonyl)pentyl ester

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