ChemicalBook > CAS DataBase List > 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)

1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)

Product Name: 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)
CAS No.: 57031-66-0
Chemical Name: 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)
Synonyms: methyl 1-methyl-1,2,4-triazole-3-carboxylate;Methyl 1-Methyl-1H-1,2,4-triazole-3-carboxylate;1-Methyl-1H-[1,2,4]triazole-3-carboxylic acid aMide;1-Methyl-1H-[1,2,4]triazole-3-carboxylicacidmethylester;1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-, methyl ester;1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)
CBNumber: CB51274188
Molecular Formula: C5H7N3O2
Formula Weight: 141.13
MOL File: 57031-66-0.mol

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1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI) Property

Boiling point:: 263℃
Density: 1.32
Flash point:: 113℃
storage temp.: Sealed in dry,Room Temperature
pka: 0.69±0.10(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C5H7N3O2/c1-8-3-6-4(7-8)5(9)10-2/h3H,1-2H3
InChIKey: NKPPQSVPTZHGMA-UHFFFAOYSA-N
SMILES: N1(C)C=NC(C(OC)=O)=N1

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: M338478
Product name: Methyl1-Methyl-1H-[1,2,4]triazole-3-carboxylate
Packaging: 100mg
Price: $60
Updated: 2021/12/16

Medical Isotopes, Inc.

Product number: 35314
Product name: Methyl1-methyl-1H-[1,2,4]triazole-3-carboxylate
Purity: 95+%
Packaging: 1g
Price: $580
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0167581
Product name: 1-METHYL-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Purity: 95.00%
Packaging: 250MG
Price: $933.24
Updated: 2021/12/16

Matrix Scientific

Product number: 074900
Product name: Methyl 1-methyl-1H-[1,2,4]triazole-3-carboxylate
Purity: 95+%
Packaging: 5g
Price: $1060
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0167581
Product name: 1-METHYL-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Purity: 95.00%
Packaging: 1G
Price: $1346.73
Updated: 2021/12/16

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1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI) Chemical Properties,Usage,Production

Synthesis

4928-88-5

74-88-4

57031-66-0

Step A: Preparation of methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate: To a suspension of sodium hydride (60% oil dispersion, 0.346 g, 8.66 mmol) in N,N-dimethylformamide (DMF, 20 mL) under stirring at 0°C under nitrogen protection was slowly added dropwise methyl 1H-1,2,4-triazole-3-carboxylate (1.00 g, a 7.87 mmol) solution in DMF (20 mL). The reaction mixture was continued to be stirred at 0 °C for 1 hour. Subsequently, iodomethane (MeI, 0.982 mL, 15.7 mmol) was added dropwise. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the mixture was poured into cold water and extracted with ethyl acetate (EtOAc). The organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate=3:1) to afford the target product methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate (0.380 g, 34% yield) as a white solid. Mass spectrum (APCI) m/z = 142.1 (M + H).

References

[1] Chemistry and Biodiversity, 2017, vol. 14, # 12,
[2] Patent: WO2014/78417, 2014, A1. Location in patent: Paragraph 00310
[3] Patent: WO2014/78322, 2014, A1. Location in patent: Paragraph 00430
[4] Patent: WO2014/78325, 2014, A1. Location in patent: Paragraph 00614
[5] Patent: WO2014/78408, 2014, A1. Location in patent: Paragraph 00545

1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI) Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI) manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: Methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate 57031-66-0
Price: US $8.80-2.20/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-06-27

57031-66-0, 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)Related Search:

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57031-66-0

CARBOXYLICESTER