2-(1-Adamantyl)-2-oxoacetic acid

Base Information Edit

Chemical Name:2-(1-Adamantyl)-2-oxoacetic acid
CAS No.:16091-98-8
Molecular Formula:C₁₂H₁₆O₃
Molecular Weight:208.257
Hs Code.:
DSSTox Substance ID:DTXSID201253812
Nikkaji Number:J3.073.065H
Mol file:16091-98-8.mol

Synonyms:2-(1-adamantyl)-2-oxoacetic acid;16091-98-8;Tricyclo[3.3.1.13,7]decane-1-acetic acid, alpha-oxo-;adamantaneglyoxylic acid;SCHEMBL161391;VQYXDIHZFDPTTL-UHFFFAOYSA-N;DTXSID201253812;BCP30066;2-(adamantan-1-yl)-2-oxoacetic acid;AKOS004120269;alpha-oxotricyclo[3.3.1.13,7]decane-1-acetic acid

Suppliers and Price of 2-(1-Adamantyl)-2-oxoacetic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 2-(1-Adamantyl)-2-oxoacetic acid Edit

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:208.109944368
Heavy Atom Count:15
Complexity:291

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CC3CC1CC(C2)(C3)C(=O)C(=O)O

Technology Process of 2-(1-Adamantyl)-2-oxoacetic acid

There total 4 articles about 2-(1-Adamantyl)-2-oxoacetic 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: 82.0%

: 3,3-dimethyl-6-(tricyclo[3.3.1.1^3,7]dec-1-yl)-1,2,4-trioxan-5-one

: 67-64-1
acetone

: 16091-98-8
oxo-tricyclo[3.3.1.1^3,7]decan-1-yl-acetic acid

Guidance literature:: triethylamine; In dichloromethane; at 20 - 25 ℃; for 16h;
DOI:10.1039/c39860001701

Reference yield: 80.0%

: 1660-04-4
1-acetyladamantane

: 709031-28-7
3-hydroxy-α-oxotricyclo [3.3.1.1^3,7]decane-1-acetic acid

: 16091-98-8
oxo-tricyclo[3.3.1.1^3,7]decan-1-yl-acetic acid

Guidance literature:: With potassium permanganate; potassium hydroxide; In water; at 50 - 80 ℃; for 12h;
DOI:10.3184/174751913X13824450734344

Reference yield:

: 828-51-3
1-Adamantanecarboxylic acid

: 709031-28-7
3-hydroxy-α-oxotricyclo [3.3.1.1^3,7]decane-1-acetic acid

: 16091-98-8
oxo-tricyclo[3.3.1.1^3,7]decan-1-yl-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: 1,1'-carbonyldiimidazole / dichloromethane / 0.5 h / 25 °C

1.2: 2 h / 25 °C

2.1: tetrahydrofuran / 10 - 20 °C / Inert atmosphere

3.1: potassium permanganate; potassium hydroxide / water / 12 h / 50 - 80 °C

With potassium permanganate; 1,1'-carbonyldiimidazole; potassium hydroxide; In tetrahydrofuran; dichloromethane; water; 2.1: |Grignard Reaction;
DOI:10.3184/174751913X13824450734344