Bicyclo[2.2.1]heptane-1-carboxylic acid

Base Information

• Chemical Name: Bicyclo[2.2.1]heptane-1-carboxylic acid
• CAS No.: 18720-30-4
• Molecular Formula: C8H12 O2
• Molecular Weight: 140.182
• Hs Code.: 2916209090
• European Community (EC) Number: 815-009-2
• NSC Number: 143956
• UNII: QTU9JW5VKL
• DSSTox Substance ID: DTXSID80171989
• Nikkaji Number: J1.633.063I
• Wikidata: Q72496711
• ChEMBL ID: CHEMBL96286
• Mol file: 18720-30-4.mol

Synonyms:Bicyclo[2.2.1]heptane-1-carboxylic acid;18720-30-4;1-Norbornanecarboxylic acid;Bicyclo(2.2.1)heptane-1-carboxylic acid;NSC 143956;QTU9JW5VKL;NSC-143956;1-Norbornane carboxylic acid;Bicyclo[2.2.1]heptane-1-carboxylicacid;norbornanecarboxylic acid;UNII-QTU9JW5VKL;CHEMBL96286;SCHEMBL152754;SCHEMBL14531989;BDBM36206;DTXSID80171989;LKXGYGYFPTZHLC-UHFFFAOYSA-N;MFCD00180984;NSC143956;AKOS003619697;AKOS006230304;AT22106;bicyclo[2.2.1]heptane carboxylic acid;GS-2510;CS-0029888;EN300-113199;Bicyclo[2.2.1]heptane-1-carboxylic acid (221);Z1198162267

Chemical Property of Bicyclo[2.2.1]heptane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00459mmHg at 25°C
• Melting Point: 113.8-115.5℃
• Boiling Point: 256.8±8.0℃ (760 Torr)
• Flash Point: 117.5±13.1℃
• PSA: 37.30000
• Density: 1.249±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 1.65130
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

bicyclo[2.2.1]heptane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CCC1C2)C(=O)O

Technology Process of Bicyclo[2.2.1]heptane-1-carboxylic acid

There total 18 articles about Bicyclo[2.2.1]heptane-1-carboxylic 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%

bicyclo<2.2.1>heptane-1-carbaldehyde (2094-67-9) → norbornane-1-carboxylic acid (18720-30-4)

Guidance literature:

With air;

DOI:10.1080/00397919508011771

Reference yield: 87.0%

exo,endo-2-bromobicyclo<2.2.1>heptane-1-carboxylic acid (74830-47-0) → norbornane-1-carboxylic acid (18720-30-4)

Guidance literature:

With tri-n-butyl-tin hydride;

DOI:10.1021/jo00302a019

Reference yield:

acide bicyclo<2.2.1>heptane peroxycarboxylique-1 (41798-00-9) → norbornene (279-23-2) + norbornane-1-carboxylic acid (18720-30-4)

Guidance literature:

In benzene; at 81 ℃; Title compound not separated from byproducts;

DOI:10.1016/0040-4020(80)80056-1

upstream raw materials:

norbornane-1-carboxamide

cyclohexane

acide bicyclo<2.2.1>heptane peroxycarboxylique-1

methyl bicyclo<2.2.1>heptane-1-carboxylate

Downstream raw materials:

methyl bicyclo<2.2.1>heptane-1-carboxylate

Phenyl-norbornyl-⁽¹⁾-keton

exo-2-bromobicyclo<2.2.1>heptane-1-carboxylic acid

1-Methylbicyclo[2.2.1]heptane