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

Base Information Edit

Chemical Name:N,N'-BIS-BOC-1-GUANYLPYRAZOLE
CAS No.:152120-54-2
Molecular Formula:C₁₄H₂₂N₄O₄
Molecular Weight:310.353
Hs Code.:29331990
European Community (EC) Number:629-085-8
DSSTox Substance ID:DTXSID90423002
Mol file:152120-54-2.mol

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;

Suppliers and Price of N,N'-BIS-BOC-1-GUANYLPYRAZOLE

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
N,N’-Bis-boc-1-guanylpyrazole
50g
$ 425.00

TCI Chemical
N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine >98.0%(HPLC)(T)
1g
$ 38.00

TCI Chemical
N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine >98.0%(HPLC)(T)
5g
$ 105.00

SynQuest Laboratories
1H-Pyrazole-1-carboxamidine, N,N'-Bis-Boc protected 98%
100 g
$ 687.00

SynQuest Laboratories
1H-Pyrazole-1-carboxamidine, N,N'-Bis-Boc protected 98%
25 g
$ 229.00

SynQuest Laboratories
1H-Pyrazole-1-carboxamidine, N,N'-Bis-Boc protected 98%
5 g
$ 88.00

Sigma-Aldrich
N,N′-Di-Boc-1H-pyrazole-1-carboxamidine 98%
1g
$ 42.40

Sigma-Aldrich
N,N′-Di-Boc-1H-pyrazole-1-carboxamidine 98%
5g
$ 125.00

Sigma-Aldrich
N,N′-Di-Boc-1H-pyrazole-1-carboxamidine 98%
25g
$ 202.00

Medical Isotopes, Inc.
N,N??-Bis-boc-1-guanylpyrazole
25 g
$ 850.00

Total 132 raw suppliers

Chemical Property of N,N'-BIS-BOC-1-GUANYLPYRAZOLE Edit

Chemical Property:

Melting Point:86-90 °C(lit.)
PKA:6.92±0.46(Predicted)
PSA：94.81000
Density:1.16 g/cm³
LogP:2.93790
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Chloroform (Slghtly), Methanol (Slightly)
Water Solubility.:Slightly soluble in water. Soluble in methanol, and chloroform.
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:310.16410520
Heavy Atom Count:22
Complexity:449

Purity/Quality:

99% ^*data from raw suppliers

N,N’-Bis-boc-1-guanylpyrazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
Isomeric SMILES:CC(C)(C)OC(=O)N/C(=N/C(=O)OC(C)(C)C)/N1C=CC=N1
Uses N,N'-Di-Boc-1H-pyrazole-1-carboxamidine is used in the stereoselective synthesis of the bicyclic guanidine alkaloid (+)-monanchorin.N,N'-Di-Boc-1H-pyrazole-1-carboxamidine (also known as Bis-Boc-pyrazolocarboxamidine,Pyrazol(BOC)2) is typically used as a guanidinylating reagent in organic synthesis. N,N'-Di-Boc-1H-pyrazole-1-carboxamidine is used in the stereoselective synthesis of the bicyclic guanidine alkaloid (+)-monanchorin.

Technology Process of N,N'-BIS-BOC-1-GUANYLPYRAZOLE

There total 11 articles about N,N'-BIS-BOC-1-GUANYLPYRAZOLE 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: 98.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 152120-61-1
tert-butyl (amino(1H-pyrazol-1-yl)methylene)carbamate

: 152120-54-2,862686-58-6,1143572-00-2
N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine

Guidance literature:: tert-butyl (amino(1H-pyrazol-1-yl)methylene)carbamate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

di-tert-butyl dicarbonate; In tetrahydrofuran; mineral oil; at 25 ℃; for 2h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acsmedchemlett.0c00080