3,3-Dimethyl-1-(4-carbethoxyphenyl)triazene

Base Information

Chemical Name:3,3-Dimethyl-1-(4-carbethoxyphenyl)triazene
CAS No.:21600-51-1
Molecular Formula:C11H15 N3 O2
Molecular Weight:221.259
Hs Code.:2916399090
NSC Number:86445
DSSTox Substance ID:DTXSID40876488
Nikkaji Number:J3.464I
ChEMBL ID:CHEMBL1331788
Mol file:21600-51-1.mol

Synonyms:1-(4-carboxyethylphenyl)-3,3-dimethyltriazene;1-(p-carboxyethylphenyl)-3,3-dimethyltriazine

Suppliers and Price of 3,3-Dimethyl-1-(4-carbethoxyphenyl)triazene

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
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price

Total 7 raw suppliers

Chemical Property of 3,3-Dimethyl-1-(4-carbethoxyphenyl)triazene

Chemical Property:

Vapor Pressure:0.00051mmHg at 25°C
Refractive Index:1.4930 (estimate)
Boiling Point:313°Cat760mmHg
Flash Point:143.1°C
PSA：54.26000
Density:1.09g/cm³
LogP:2.42360
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:221.116426730
Heavy Atom Count:16
Complexity:246

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)N=NN(C)C

Technology Process of 3,3-Dimethyl-1-(4-carbethoxyphenyl)triazene

There total 6 articles about 3,3-Dimethyl-1-(4-carbethoxyphenyl)triazene 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: 30.0%

: 348-06-1
p-carboethoxybenzenediazonium tetrafluoroborate

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 21600-51-1
1-(p-Ethoxycarbonylphenyl)-3,3-dimethyltriazene

Guidance literature:: With caesium carbonate; phenylpropyolic acid; In methanol; at 60 ℃; Inert atmosphere; Schlenk technique;
DOI:10.1016/j.tet.2021.132185

Reference yield:

: 348-06-1
p-carboethoxybenzenediazonium tetrafluoroborate

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 21600-51-1
1-(p-Ethoxycarbonylphenyl)-3,3-dimethyltriazene

: 93-89-0,99341-95-4
benzoic acid ethyl ester

Guidance literature:: With caesium carbonate; In N,N-dimethyl-formamide; at 50 ℃;
DOI:10.1016/j.tet.2021.132185

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 21600-51-1
1-(p-Ethoxycarbonylphenyl)-3,3-dimethyltriazene

: 93-89-0,99341-95-4
benzoic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: tert.-butylnitrite / methanol / -20 - 20 °C / Schlenk technique; Inert atmosphere

2: caesium carbonate / N,N-dimethyl-formamide / 50 °C

With tert.-butylnitrite; caesium carbonate; In methanol; N,N-dimethyl-formamide;
DOI:10.1016/j.tet.2021.132185