N-(tert-Butoxycarbonyl)-1H-pyrazole-1-carboxamidine

Base Information

• Chemical Name: N-(tert-Butoxycarbonyl)-1H-pyrazole-1-carboxamidine
• CAS No.: 152120-61-1
• Molecular Formula: C9H14N4O2
• Molecular Weight: 210.236
• Hs Code.: 29332900
• European Community (EC) Number: 623-898-1
• Mol file: 152120-61-1.mol

Synonyms:tert-butyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate;N-(tert-Butoxycarbonyl)-1H-pyrazole-1-carboxamidine;tert-butyl [(1E)-amino(1H-pyrazol-1-yl)methylene]carbamate;ChemDiv3_001099;N-tert-Butoxycarbonyl-1-amidinopyrazole;SCHEMBL12446838;HMS1476B21;AKOS001622941;AKOS015920442;CS-W020385;GS-6734;IDI1_020065;NCGC00172991-01;SR-01000080664;J-523180;N-(Tert-Butoxycarbonyl)-1 H-Pyrazole-1-carboxamdne;SR-01000080664-1;tert-butyl N-(1H-pyrazole-1-carboximidoyl)carbamate

Chemical Property of N-(tert-Butoxycarbonyl)-1H-pyrazole-1-carboxamidine

Chemical Property:

• Appearance/Colour: white flake
• Vapor Pressure: 0.00022mmHg at 25°C
• Melting Point: 97-101 °C
• Refractive Index: 1.558
• Boiling Point: 326.2 °C at 760 mmHg
• PKA: 9.15±0.46(Predicted)
• Flash Point: 151.1 °C
• PSA: 80.00000
• Density: 1.21 g/cm³
• LogP: 1.68130
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 210.11167570
• Heavy Atom Count: 15
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

N-Boc-1-Guanylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-60-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N=C(N)N1C=CC=N1
• Isomeric SMILES: CC(C)(C)OC(=O)/N=C(\N)/N1C=CC=N1

Technology Process of N-(tert-Butoxycarbonyl)-1H-pyrazole-1-carboxamidine

There total 4 articles about N-(tert-Butoxycarbonyl)-1H-pyrazole-1-carboxamidine 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 1H-pyrazole-1-carboximidamide hydrochloride (4023-02-3) → tert-butyl (1H-pyrazol-1-ylcarbonoimidoyl)carbamate (152120-61-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2007.01.126

Reference yield: 95.0%

di-tert-butyl dicarbonate (24424-99-5) + 1H-Pyrazole-1-carboxamidine (4023-00-1) → tert-butyl (1H-pyrazol-1-ylcarbonoimidoyl)carbamate (152120-61-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 0.666667h; Ambient temperature;

DOI:10.1080/00397919308011149

Reference yield: 90.0%

di-tert-butyl dicarbonate (24424-99-5) + 1H-pyrazole-1-carboximidamide hydrochloride (4023-02-3) → tert-butyl (amino(1H-pyrazol-1-yl)methylene)carbamate (152120-61-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/ol016139b

upstream raw materials:

di-tert-butyl dicarbonate

1H-pyrazole-1-carboximidamide hydrochloride

1H-Pyrazole-1-carboxamidine

Downstream raw materials:

N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine

(Z)-tert-butyl (((tert-butoxycarbonyl)imino)(1H-pyrazol-1-yl)methyl)carbamate

C₃₂H₄₂N₄O₁₃

C₃₆H₅₀N₄O₁₃

Refernces

• 1、 -. "RADIOIODINATED COMPOUNDS". Page/Page column 38. . Retrieved 2015/12/08.
• 2、 -. "PYRROLOPYRIMIDINE AND PURINE DERIVATIVES". Paragraph 0827; 0828. . Retrieved 2013/04/10.