2-[4-[(2E)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Base Information

Chemical Name:2-[4-[(2E)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS No.:78586-43-3
Molecular Formula:C21H25Cl2N7O4
Molecular Weight:510.3737
Hs Code.:
NSC Number:271934
DSSTox Substance ID:DTXSID90429685

2-[4-[(2E)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Synonyms:NSC271934;78586-43-3;DTXSID90429685;NSC-271934

Suppliers and Price of 2-[4-[(2E)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Supply Marketing:

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

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Total 3 raw suppliers

Chemical Property of 2-[4-[(2E)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Property:

Vapor Pressure:1.25E-25mmHg at 25°C
Boiling Point:780.2°Cat760mmHg
Flash Point:425.6°C
Density:1.6g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:509.1345077
Heavy Atom Count:34
Complexity:655

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C=NNC2=C3C=NN(C3=NC=N2)C4C(C(C(O4)CO)O)O)N(CCCl)CCCl
Isomeric SMILES:C1=CC(=CC=C1/C=N/NC2=C3C=NN(C3=NC=N2)C4C(C(C(O4)CO)O)O)N(CCCl)CCCl

Technology Process of 2-[4-[(2E)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

There total 3 articles about 2-[4-[(2E)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol 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: 78.5%

: 64372-76-5
4-hydrazino-1-(β-D-ribofuranosyl)pyrazolo<3,4-d>pyrimidine

: 1208-03-3
4-(bis(2-chloroethyl)amino)benzaldehyde

: 78586-43-3
p-benzaldehyde (1-β-D-ribofuranosylpyrazolo<3,4-d>pyrimidin-4-yl)hydrazone

Guidance literature:: With 5A molecular sieve; In N,N-dimethyl-formamide; Ambient temperature;
DOI:10.1021/jm00142a009

Reference yield:

: 64372-69-6
1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)pyrazolo<3,4-d>pyrimidin-4-one

: 78586-43-3
p-benzaldehyde (1-β-D-ribofuranosylpyrazolo<3,4-d>pyrimidin-4-yl)hydrazone

Guidance literature:: Multi-step reaction with 3 steps

1: 97 percent / thionyl chloride, DMF / CH₂Cl₂ / 14 h / 60 °C

2: 70.8 percent / hydrazine / ethanol / 3 h / Heating

3: 78.5 percent / molecular sieves 5A / dimethylformamide / Ambient temperature

With thionyl chloride; 5A molecular sieve; N,N-dimethyl-formamide; hydrazine; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00142a009

Reference yield:

: 78586-33-1
4-chloro-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)pyrazolo<3,4-d>pyrimidine

: 78586-43-3
p-benzaldehyde (1-β-D-ribofuranosylpyrazolo<3,4-d>pyrimidin-4-yl)hydrazone

Guidance literature:: Multi-step reaction with 2 steps

1: 70.8 percent / hydrazine / ethanol / 3 h / Heating

2: 78.5 percent / molecular sieves 5A / dimethylformamide / Ambient temperature

With 5A molecular sieve; hydrazine; In ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00142a009