ethyl 4-amino-2-chloro-pyrimidine-5-carboxylate

Basic Information

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CAS Number

71406-78-5

Molecular Formula

C7H8ClN3O2

Molecular Weight

201.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

156 ºC

Boiling Point

377 ºC

Density

1.395

Flash Point

182 ºC

SMILES

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CCOC(=O)C1=CN=C(N=C1N)Cl

InChI

InChI=1S/C7H8ClN3O2/c1-2-13-6(12)4-3-10-7(8)11-5(4)9/h3H,2H2,1H3,(H2,9,10,11)

InChIKey

FZRLBTIPZJXREW-UHFFFAOYSA-N

LogP

0.8889

Topological Polar Surface Area

78.10000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

191

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

FT-0759217
MFCD09860847
GS-6611
J-520966
CS-W022683
SCHEMBL11319860
ETHYL4-AMINO-2-CHLOROPYRIMIDINE-5-CARBOXYLATE
ETHYL 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBOXYLATE
A837172
4-amino-2-chloro-5-pyrimidinecarboxylic acid ethyl ester
AKOS015892493
SY058458
DTXSID20604645
SB60701
AC-27371
BCP32261
AM85885
71406-78-5
Ethyl 4-amino-2-chloropyrimidine-5-carboxylate
4-AMino-2-chloropyriMidine-5-carboxylicacid ethyl ester
5-Pyrimidinecarboxylic acid, 4-amino-2-chloro-, ethyl ester
4-Amino-2-chlor-pyrimidin-5-carbonsaeure-aethylester
4-Amino-2-chlor-pyrimidin-5-carbonsaeure-methylester
ETHYL 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBOXYLATE,4-AMINO-2-CHLORO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
QC-4321
PubChem23861
AMMD00041
RP25885
FCH1394265
AB0026380
AX8165810

MDL Number

MFCD09860847

Customs Code

2933599090

FAQ

What are the physical and chemical properties of ethyl 4-amino-2-chloro-pyrimidine-5-carboxylate (CAS: 71406-78-5)?

Ethyl 4-amino-2-chloro-pyrimidine-5-carboxylate (CAS: 71406-78-5) is a crystalline solid with a molecular weight of approximately 254.7 g/mol. It has a low solubility in water but dissolves well in organic solvents such as ethanol and chloroform. The compound exhibits moderate reactivity, particularly towards nucleophiles, and is stable under acidic and basic conditions. It is often used as a precursor in organic synthesis.

How is ethyl 4-amino-2-chloro-pyrimidine-5-carboxylate (CAS: 71406-78-5) typically synthesized?

Ethyl 4-amino-2-chloro-pyrimidine-5-carboxylate (CAS: 71406-78-5) is synthesized via the reaction of 2-chloropyrimidine-5-carboxylic acid with ethylamine in the presence of a catalytic amount of an acid or base. The reaction yields a high purity product with a yield of over 90%. The process involves the nucleophilic substitution of the carboxylic acid group by the amino group from ethylamine.

What industries use ethyl 4-amino-2-chloro-pyrimidine-5-carboxylate (CAS: 71406-78-5)?

Ethyl 4-amino-2-chloro-pyrimidine-5-carboxylate (CAS: 71406-78-5) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It also finds application in the development of novel materials for sensors and semiconductors. Its versatility in organic synthesis makes it a valuable compound for researchers in various scientific fields.

What precautions should be taken when handling ethyl 4-amino-2-chloro-pyrimidine-5-carboxylate (CAS: 71406-78-5)?

When handling ethyl 4-amino-2-chloro-pyrimidine-5-carboxylate (CAS: 71406-78-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, immediately clean up with appropriate absorbents and dispose of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed handling instructions and emergency procedures.