7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester

Base Information

Chemical Name:7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester
CAS No.:83060-75-7
Molecular Formula:C8H9 N O2
Molecular Weight:151.1626
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90232151
Wikidata:Q83113182
Mol file:83060-75-7.mol

Synonyms:83060-75-7;7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester;7-Azabicyclo[2.2.1]heptadiene-7-carboxylic acid, methyl ester;DTXSID90232151

Suppliers and Price of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester

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

Total 6 raw suppliers

Chemical Property of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester

Chemical Property:

Vapor Pressure:0.0856mmHg at 25°C
Boiling Point:225.6°Cat760mmHg
Flash Point:90.2°C
PSA：29.54000
Density:1.254g/cm³
LogP:0.86950
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:151.063328530
Heavy Atom Count:11
Complexity:215

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)N1C2C=CC1C=C2

Technology Process of 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester

There total 4 articles about 7-Azabicyclo(2.2.1)heptadiene-7-carboxylic acid, methyl ester 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: 42.0%

: 83060-74-6
(1S,4R)-2-(Toluene-4-sulfonyl)-7-aza-bicyclo[2.2.1]hepta-2,5-diene-7-carboxylic acid methyl ester

: 83060-75-7
7-(methoxycarbonyl)-7-azabicyclo[2.2.1]hepta-2,5-diene

Guidance literature:: With disodium hydrogenphosphate; sodium; mercury; In tetrahydrofuran; methanol; at -78 ℃; for 3h;

Reference yield:

: 79-22-1
methyl chloroformate

: 358349-54-9
7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]hepta-2,5-diene

: 83060-75-7
7-(methoxycarbonyl)-7-azabicyclo[2.2.1]hepta-2,5-diene

Guidance literature:: 7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]hepta-2,5-diene; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

methyl chloroformate; With potassium carbonate; In acetone; for 18h; Further stages.; Heating;
DOI:10.1039/b306717n

Reference yield:

: 4277-63-8
methyl 1H-pyrrole-1-carboxylate

: 83060-75-7
7-(methoxycarbonyl)-7-azabicyclo[2.2.1]hepta-2,5-diene

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / 24 h / 80 - 85 °C

2: 42 percent / 6percent Na, Na₂HPO₄ / Hg / tetrahydrofuran; methanol / 3 h / -78 °C

With disodium hydrogenphosphate; sodium; mercury; In tetrahydrofuran; methanol;