ethyl 4-amino-5-cyanosalicylate

Base Information

Chemical Name:ethyl 4-amino-5-cyanosalicylate
CAS No.:72817-97-1
Molecular Formula:C10H10 N2 O3
Molecular Weight:206.201
Hs Code.:2926909090
European Community (EC) Number:276-867-6
DSSTox Substance ID:DTXSID30993613
Nikkaji Number:J318.839F
Wikidata:Q82984309
Mol file:72817-97-1.mol

Synonyms:Ethyl4-amino-5-cyanosalicylate

Suppliers and Price of ethyl 4-amino-5-cyanosalicylate

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

TRC
Ethyl4-Amino-5-cyanosalicylate
10mg
$ 130.00

TRC
Ethyl4-Amino-5-cyanosalicylate
100mg
$ 955.00

Crysdot
Ethyl4-amino-5-cyano-2-hydroxybenzoate 95+%
1g
$ 608.00

Total 12 raw suppliers

Chemical Property of ethyl 4-amino-5-cyanosalicylate

Chemical Property:

Vapor Pressure:1.11E-07mmHg at 25°C
Melting Point:185-187 °C(Solv: acetic acid (64-19-7))
Boiling Point:420.9ºC at 760 mmHg
PKA:7.87±0.23(Predicted)
Flash Point:208.4ºC
PSA：96.34000
Density:1.34g/cm3
LogP:1.60398
Storage Temp.:2-8°C
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:206.06914219
Heavy Atom Count:15
Complexity:284

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-Amino-5-cyanosalicylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(C=C(C(=C1)C#N)N)O
Uses Ethyl 4-Amino-5-cyanosalicylate is an intermediate in the synthesis of 4-Amino-6-hydroxy-1,3-benzenedicarboxylic Acid (A634570), which is a compound with tuberculostatic activity. It also has antimalarial acitvity.

Technology Process of ethyl 4-amino-5-cyanosalicylate

There total 3 articles about ethyl 4-amino-5-cyanosalicylate 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: 59.0%

: 49836-24-0
(E)-2-(ethoxymethylene)-3-oxobutanoic acid ethyl ester

: 109-77-3
malononitrile

: 72817-97-1
4-amino-5-cyano-2-hydroxy-benzoic acid ethyl ester

Guidance literature:: malononitrile; With sodium ethanolate; In ethanol; at 4 ℃; for 0.25h;

(E)-2-(ethoxymethylene)-3-oxobutanoic acid ethyl ester; In ethanol; for 1h; Cooling with ice; Reflux;

Reference yield: 39.0%

: 109-77-3
malononitrile

: 3788-94-1
2-ethoxymethylene-3-oxobutanoic acid ethyl ester

: 72817-97-1
4-amino-5-cyano-2-hydroxy-benzoic acid ethyl ester

Guidance literature:: malononitrile; With sodium ethanolate; In ethanol; at 20 ℃; for 0.333333h;

2-ethoxymethylene-3-oxobutanoic acid ethyl ester; In ethanol; for 0.5h; Heating;
DOI:10.1021/ol0498848

Reference yield: 29.0%

: 141-97-9
ethyl acetoacetate

: 123-06-8
Ethoxymethylenemalononitrile

: 72817-97-1
4-amino-5-cyano-2-hydroxy-benzoic acid ethyl ester

Guidance literature:: ethyl acetoacetate; With sodium; In ethanol; water; at 20 ℃; for 0.5h;

Ethoxymethylenemalononitrile; In ethanol; at 80 ℃; for 0.5h;