N,N'-Di-Boc-1H-pyrazole-1-carboxamidine supplier

Name
N,N'-BIS-BOC-1-GUANYLPYRAZOLE
EINECS
CAS No. 152120-54-2
Article Data13
CAS DataBase
Density 1.16 g/cm³
Solubility Slightly soluble in water. Soluble in methanol, and chloroform.
Melting Point 86-90 °C(lit.)
Formula C₁₄H₂₂N₄O₄
Boiling Point
Molecular Weight 310.353
Flash Point
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, [[[(1,1-dimethylethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]-,1,1-dimethylethyl ester (9CI);N,N'-Bis(tert-butoxycarbonyl)-1-guanylpyrazole;N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboximidamide;N,N'-Bis-Boc-1-guanylpyrazole;N,N'-Di-boc-1H-pyrazole-1-carboximidamide;tert-Butyl[(tert-butoxycarbonylimino)(pyrazol-1-yl)methyl]carbamate;
PSA 94.81000
LogP 2.93790

N,N'-Di-Boc-1H-pyrazole-1-carboxamidine Specification

The N,N'-Di-Boc-1H-pyrazole-1-carboxamidine, with the CAS registry number 152120-54-2, has the systematic name of di-tert-butyl (1H-pyrazol-1-ylmethylylidene)biscarbamate. It belongs to the following categories: Guanidine Protection/Guanidinylation; Peptide Synthesis; Specialty Synthesis. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₄H₂₂N₄O₄.

The physical properties of N,N'-Di-Boc-1H-pyrazole-1-carboxamidine are as followings: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 73.88; (6)ACD/BCF (pH 7.4): 3.8; (7)ACD/KOC (pH 5.5): 676.52; (8)ACD/KOC (pH 7.4): 34.83; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 86.02 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 82.07 cm³; (15)Molar Volume: 267.5 cm³; (16)Polarizability: 32.53×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.16 g/cm³.

Uses of N,N'-Di-Boc-1H-pyrazole-1-carboxamidine: It can react with piperidine to produce (tert-butoxycarbonylimino-piperidin-1-yl-methyl)-carbamic acid tert-butyl ester. This reaction will need solvent acetonitrile. The reaction time is 5 hours with ambient temperature, and the yield is about 92%.

N,N'-Di-Boc-1H-pyrazole-1-carboxamidine reacts with piperidine to produce (tert-butoxycarbonylimino-piperidin-1-yl-methyl)-carbamic acid tert-butyl ester

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N=C(NC(=O)OC(C)(C)C)n1nccc1
(2)InChI: InChI=1/C14H22N4O4/c1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6/h7-9H,1-6H3,(H,16,17,19,20)
(3)InChIKey: QFNFDHNZVTWZED-UHFFFAOYAE

Product Name

N,N'-BIS-BOC-1-GUANYLPYRAZOLE

N,N'-Di-Boc-1H-pyrazole-1-carboxamidine Specification

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