Ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate

Base Information

Chemical Name:Ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate
CAS No.:947243-99-4
Molecular Formula:C18H23N3O2
Molecular Weight:313.4
Hs Code.:2933990090
DSSTox Substance ID:DTXSID30702383
Wikidata:Q82634280
Mol file:947243-99-4.mol

Synonyms:DTXSID30702383;Ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate;947243-99-4

Suppliers and Price of Ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of Ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate

Chemical Property:

PSA：64.11000
LogP:3.57200
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:313.17902698
Heavy Atom Count:23
Complexity:391

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)C)NCC2=NC(=C(N=C2C)C)C

Technology Process of Ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate

There total 2 articles about Ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate 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: 46.6%

: 41191-92-8
3-amino-4-methylbenzoic acid ethyl ester

: 79074-45-6
2-(bromomethyl)-3,5,6-trimethylpyrazine

: 947243-99-4
ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate

Guidance literature:: With sodium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 2h;
DOI:10.1002/cbdv.200900353

Reference yield:

: 76494-51-4
Tetramethylpyrazine hydrochloride

: 947243-99-4
ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydroxide / water

2: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 10 h / 65 °C / Irradiation

3: sodium carbonate / N,N-dimethyl-formamide / 2 h / 120 °C

With N-Bromosuccinimide; sodium carbonate; sodium hydroxide; dibenzoyl peroxide; In tetrachloromethane; water; N,N-dimethyl-formamide;
DOI:10.1002/cbdv.200900353

Reference yield:

: 947243-99-4
ethyl 4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzoate

: 947243-79-0
N-(diaminomethylidene)-4-methyl-3-{[(3,5,6-trimethylpyrazin-2-yl)methyl]amino}benzamide hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: isopropyl alcohol / 70 °C / Reflux

2: hydrogenchloride / ethyl acetate; isopropyl alcohol / pH 3

With hydrogenchloride; In ethyl acetate; isopropyl alcohol;
DOI:10.1002/cbdv.200900353