12-(Tert-butoxy)-12-oxododecanoic acid

Base Information

• Chemical Name: 12-(Tert-butoxy)-12-oxododecanoic acid
• CAS No.: 234081-98-2
• Molecular Formula: C16H30O4
• Molecular Weight: 286.40700
• Hs Code.: 2918990090
• European Community (EC) Number: 807-317-0
• DSSTox Substance ID: DTXSID501291083
• Mol file: 234081-98-2.mol

Synonyms:12-(tert-butoxy)-12-oxododecanoic acid;234081-98-2;Dodecanedioic acid,;Mono(1,1-diMethylethyl) ester;12-[(2-methylpropan-2-yl)oxy]-12-oxododecanoic acid;tert-Butyl hydrogen dodecanedioate;C16H30O4;MFCD28098251;Dodecanedioic acid, Mono(1,1-diMethylethyl) ester;SCHEMBL2182221;DTXSID501291083;AMY26893;1-(1,1-Dimethylethyl) dodecanedioate;AKOS024255742;12-(t-Butoxy)-12-oxododecanoic acid;SS-4826;12-(tert-butoxy)-12-oxododecanoicacid;SY243165;DB-111181;B5926;CS-0148616

Chemical Property of 12-(Tert-butoxy)-12-oxododecanoic acid

Chemical Property:

• Melting Point: 40 °C
• Boiling Point: 389.1±15.0 °C(Predicted)
• PKA: 4.78±0.10(Predicted)
• PSA: 63.60000
• Density: 0.984±0.06 g/cm3(Predicted)
• LogP: 4.31370
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Toluene
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 286.21440943
• Heavy Atom Count: 20
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl Hydrogen Dodecanedioate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 12-(Tert-butoxy)-12-oxododecanoic acid

There total 4 articles about 12-(Tert-butoxy)-12-oxododecanoic acid 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: 95.3%

1,12-dodecanedioic acid (693-23-2) + isobutene (115-11-7,15220-85-6) → 1,10-decanedicarboxylic acid mono-tert-butyl ester (234081-98-2)

Guidance literature:

With graphene-ferric oxide composite nanomaterial; In dichloromethane; for 4h; Solvent; Reagent/catalyst; Cooling with ice;

Reference yield: 50.0%

1,12-dodecanedioic acid (693-23-2) + tert-butyl alcohol (75-65-0) → 1,10-decanedicarboxylic acid mono-tert-butyl ester (234081-98-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1021/ja0474906

Reference yield:

C17H32O4 → 1,10-decanedicarboxylic acid mono-tert-butyl ester (234081-98-2)

Guidance literature:

With ethanol; potassium hydroxide; at 20 ℃; for 3h; pH=9 - 10; Reagent/catalyst;

upstream raw materials:

1,12-dodecanedioic acid

tert-butyl alcohol

isobutene

Downstream raw materials:

11-[(S)-1-Benzyloxycarbonyl-2-((S)-1,2-bis-hexadecylcarbamoyl-ethylcarbamoyl)-ethylcarbamoyl]-undecanoic acid

11-[(S)-1-Benzyloxycarbonyl-2-((S)-1,2-bis-hexadecylcarbamoyl-ethylcarbamoyl)-ethylcarbamoyl]-undecanoic acid tert-butyl ester

Refernces

• 1、 -. "Method for preparing high-purity dodecanedioic acidmono-tert-butyl ester through two-step method". Paragraph 0037-0046; 0059-0061. . Retrieved 2019/01/23.
• 2、 -. "Functional synthetic molecules and macromolecules for gene delivery". Page/Page column 59-60. . Retrieved 2008/06/13.