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5-TERT-BUTOXYCARBONYL-1,4,5,6-TETRAHYDROPYRROLO-[3,4-C]-PYRAZOLE structure, CAS 657428-42-7

5-TERT-BUTOXYCARBONYL-1,4,5,6-TETRAHYDROPYRROLO-[3,4-C]-PYRAZOLE

CAS Number657428-42-7

Synonyms2-Methyl-2-propanyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate; Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-, 1,1-dimethylethyl ester; Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester; tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate; tert-Butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-carboxylat

Molecular FormulaC10H15N3O2

Molecular Weight209.25

Purity

Density1.2±0.1 g/cm3

Boiling Point366.0±42.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-9074611 Purity:
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Quality Control of [ 657428-42-7 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number657428-42-7
Catalog No.2A-9074611
Chinese Name4,6-二氢-1H-吡咯[3,4-C]吡唑-5-甲酸丁酯
Synonyms2-Methyl-2-propanyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate; Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-, 1,1-dimethylethyl ester; Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester; tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate; tert-Butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-carboxylat
Molecular FormulaC10H15N3O2
Molecular Weight209.25
Density1.2±0.1 g/cm3
Boiling Point366.0±42.0 °C at 760 mmHg
Storage Condition2-8°C
HTC2933990090
PubChem ID15438917
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2C1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13/h4H,5-6H2,1-3H3,(H,11,12)
InChI KeyIBUNCTVDGYIKAP-UHFFFAOYSA-N
Use ofhealth and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Molecular formula: C10H15N3O2 Molecular weight: 209.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Hazard Codes Xi HS Code 2933990090 Synthetic Route Total: 1 Page tert-butyl (3Z)... CAS#:905274-02-4 4,6-Dihydropyrr... CAS#:657428-42-7 2,4,5,6-Tetrahy... CAS#:6573-19-9 Di-tert-butyl d... CAS#:24424-99-5 4,6-Dihydropyrr... CAS#:657428-42-7 Literature: Biftu, Tesfaye; Sinha-Roy, Ranabir; Chen, Ping; Qian, Xiaoxia; Feng, Dennis; Kuethe, Jeffrey T.; Scapin, Giovanna; Gao, Ying Duo; Yan, Youwei; Krueger, Davida; Bak, Annette; Eiermann, George; He, Jiafang; Cox, Jason; Hicks, Jacqueline; Lyons, Kathy; He, Huaibing; Salituro, Gino; Tong, Sharon; Patel, Sangita; Doss, George; Petrov, Aleksandr; Wu, Joseph; Xu, Shiyao Sherrie; Sewall, Charles; Zhang, Xiaoping; Zhang, Bei; Thornberry, Nancy A.; Weber, Ann E. Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3205 - 3212 N-Boc-3-pyrroli... CAS#:101385-93-7 4,6-Dihydropyrr... CAS#:657428-42-7 Precursor & DownStream Precursor 3 CAS#:6573-19-9 2,4,5,6-Tetrahy... CAS#:24424-99-5 Di-tert-butyl d... CAS#:101385-93-7 N-Boc-3-pyrroli... DownStream 1 CAS#:1226781-44-7 Omarigliptin
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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