cis-Pinonic acid

Base Information

Chemical Name:cis-Pinonic acid
CAS No.:61826-55-9
Molecular Formula:C₁₀H₁₆O₃
Molecular Weight:184.235
Hs Code.:2918300090
European Community (EC) Number:627-342-9
DSSTox Substance ID:DTXSID401025768
Nikkaji Number:J35.858D
Mol file:61826-55-9.mol

Synonyms:cis-Pinonic acid;2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid;61826-55-9;52305-34-7;Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, (1R,3R)-rel-;2-((1R,3R)-3-acetyl-2,2-dimethylcyclobutyl)acetic acid;NSC 29469;cis-Pinonic acid, 98%;2-((1S,3S)-3-Acetyl-2,2-dimethylcyclobutyl)-acetic acid;(1R,3R)-cis-Pinonic acid;SCHEMBL4905394;DTXSID401025768;AKOS026726682;AS-71105;CS-0227262;EN300-134503;(3-Acetyl-2,2-dimethylcyclobutyl)acetic acid #;cis-3-acetyl-2,2-dimethyl-cyclobutylethanoic acid;EN300-20812202;(1R)-3|A-Acetyl-2,2-dimethylcyclobutane-1|A-acetic acid;rac-2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid;rel-2-((1R,3R)-3-Acetyl-2,2-dimethylcyclobutyl)acetic acid;rel-2-((1R,3R)-3-Acetyl-2,2-dimethylcyclobutyl)aceticacid

Suppliers and Price of cis-Pinonic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
cis-Pinonic acid 98%
5g
$ 80.30

Crysdot
2-(3-Acetyl-2,2-dimethylcyclobutyl)aceticacid 95+%
5g
$ 309.00

American Custom Chemicals Corporation
CIS-PINONIC ACID 95.00%
10G
$ 554.20

American Custom Chemicals Corporation
CIS-PINONIC ACID 95.00%
5G
$ 477.10

American Custom Chemicals Corporation
CIS-PINONIC ACID 95.00%
1G
$ 415.42

Total 8 raw suppliers

Chemical Property of cis-Pinonic acid

Chemical Property:

Vapor Pressure:0.00019mmHg at 25°C
Melting Point:104-107 °C(lit.)
Refractive Index:1.5230 (estimate)
Boiling Point:305.2°C at 760 mmHg
PKA:4.72±0.10(Predicted)
Flash Point:152.6°C
PSA：54.37000
Density:1.0655 (rough estimate)
LogP:1.71240
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:184.109944368
Heavy Atom Count:13
Complexity:243

Purity/Quality:

98%,99%, ^*data from raw suppliers

cis-Pinonic acid 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(=O)C1CC(C1(C)C)CC(=O)O
Isomeric SMILES:CC(=O)[C@@H]1C[C@@H](C1(C)C)CC(=O)O

Technology Process of cis-Pinonic acid

There total 50 articles about cis-Pinonic 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: 100.0%

: 7785-26-4,25766-18-1
(-)-α-pinene

: 473-72-3,17879-35-5,61376-92-9,61826-55-9,64396-97-0,127062-09-3,52305-34-7
(1'R,3'R)-2-(3'-acetyl-2',2'-dimethylcyclobutyl)acetic acid

Guidance literature:: With ruthenium trichloride; sodium periodate; In tetrachloromethane; water; acetonitrile; at 20 ℃; for 24h;
DOI:10.1021/jo991773c

Reference yield: 96.0%

: 3⁽²⁾,3⁽²⁾,7-trimethyl-2,5-dioxo-6-oxa-3(1,3)-cyclobutanaoctaphane

: 473-72-3,17879-35-5,61376-92-9,61826-55-9,64396-97-0,127062-09-3,52305-34-7
(1'R,3'R)-2-(3'-acetyl-2',2'-dimethylcyclobutyl)acetic acid

Guidance literature:: With potassium hydroxide; In methanol; at 20 ℃; for 6h;
DOI:10.1007/s11172-019-2575-3

Reference yield: 83.0%

: 80-56-8,177698-18-9,25766-18-1
Pinene

: 473-72-3,17879-35-5,61376-92-9,61826-55-9,64396-97-0,127062-09-3,52305-34-7
(1'R,3'R)-2-(3'-acetyl-2',2'-dimethylcyclobutyl)acetic acid

Guidance literature:: Pinene; With ozone; In dichloromethane; acetic acid; at 0 ℃;

With semicarbazide hydrochloride; In dichloromethane; acetic acid; at 0 - 20 ℃;
DOI:10.1134/S1070428014080016