3-(Bromomethyl)adamantane-1-carboxylic acid

Base Information

Chemical Name:3-(Bromomethyl)adamantane-1-carboxylic acid
CAS No.:27983-08-0
Molecular Formula:C12H17BrO2
Molecular Weight:273.17
Hs Code.:
DSSTox Substance ID:DTXSID30389072,DTXSID701188430
Mol file:27983-08-0.mol

Synonyms:3-(bromomethyl)adamantane-1-carboxylic acid;27983-08-0;STK366107;3-Bromomethyltricyclo[3.3.1.13,7]decane-1-carboxylic acid;1822-26-0;3-(bromomethyl)adamantanecarboxylic acid;starbld0012182;DTXSID30389072;DTXSID701188430;AKOS000521714;SR-01000312397;SR-01000312397-1;3-(Bromomethyl)tricyclo[3.3.1.13,7]decane-1-carboxylic acid;3-(bromomethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid

Suppliers and Price of 3-(Bromomethyl)adamantane-1-carboxylic 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

Absolute Chiral
methyl-3-bromoadamantane-1-carboxylate 95%
1 g
$ 498.00

Absolute Chiral
methyl-3-bromoadamantane-1-carboxylate 95%
500 mg
$ 298.00

Total 3 raw suppliers

Chemical Property of 3-(Bromomethyl)adamantane-1-carboxylic acid

Chemical Property:

Melting Point:32 °C(Solv: ligroine (8032-32-4))
Boiling Point:299.1±23.0 °C(Predicted)
PSA：37.30000
Density:1.509±0.06 g/cm3(Predicted)
LogP:3.05250
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:272.04119
Heavy Atom Count:15
Complexity:299

Purity/Quality:

99% ^*data from raw suppliers

methyl-3-bromoadamantane-1-carboxylate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CC3(CC1CC(C2)(C3)C(=O)O)CBr

Technology Process of 3-(Bromomethyl)adamantane-1-carboxylic acid

There total 7 articles about 3-(Bromomethyl)adamantane-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: 90.0%

: 42711-81-9
3-(methoxycarbonyl)adamantane-1-carboxylic acid

: 27983-08-0
bromo-3 adamantylcarboxylate de methyle

Guidance literature:: With [bis(acetoxy)iodo]benzene; potassium bromide; at 25 ℃; Irradiation;
DOI:10.1021/acs.oprd.0c00130

Reference yield:

: 67-56-1
methanol

: 21816-08-0
3-bromoadamantane-1-carboxylic acid

: 27983-08-0
bromo-3 adamantylcarboxylate de methyle

Guidance literature:: With acide sulfurique; for 5h; Yield given; Heating;

Reference yield:

: 828-51-3
1-Adamantanecarboxylic acid

: 27983-08-0
bromo-3 adamantylcarboxylate de methyle

Guidance literature:: Multi-step reaction with 3 steps

1: nitric acid; sulfuric acid / 5 h / 0 °C

2: hydrogen bromide / water / 4.5 h / 90 °C

3: thionyl chloride / -20 - 25 °C

With thionyl chloride; sulfuric acid; hydrogen bromide; nitric acid; In water;
DOI:10.1021/acs.organomet.8b00734