Nitro-altanserin

Base Information

Chemical Name:Nitro-altanserin
CAS No.:139418-53-4
Molecular Formula:C₂₂H₂₂N₄O₄S
Molecular Weight:438.507
Hs Code.:
DSSTox Substance ID:DTXSID60557505
Wikidata:Q82439449
Mol file:139418-53-4.mol

Synonyms:nitro-altanserin;139418-53-4;3-(2-(4-(4-Nitrobenzoyl)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one;3-[2-[4-(4-nitrobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one;4(1H)-QUINAZOLINONE, 3-(2-(4-(4-NITROBENZOYL)-1-PIPERIDINYL)ETHYL)-2,3-DIHYDRO-2-THIOXO-;3-{2-[4-(4-nitrobenzoyl)piperidin-1-yl]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one;Nitroaltanserine;SCHEMBL13010936;DTXSID60557505;3-[2-[4-(4-Nitrobenzoyl)-1-piperidinyl]ethyl]-2,3-dihydro-2-thioxo-4(1H)-quinazolinone;4(1H)-Quinazolinone,3-(2-(4-(4-nitrobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-2-thioxo-;3-{2-[4-(4-Nitrobenzoyl)piperidin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one

Suppliers and Price of Nitro-altanserin

Supply Marketing:

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

American Custom Chemicals Corporation
NITRO-ALTANSERIN 95.00%
5MG
$ 498.64

Total 2 raw suppliers

Chemical Property of Nitro-altanserin

Chemical Property:

Boiling Point:762.7 °C at 760 mmHg
Flash Point:415 °C
PSA：136.01000
Density:1.56 g/cm³
LogP:4.02330
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:438.13617637
Heavy Atom Count:31
Complexity:711

Purity/Quality:: NITRO-ALTANSERIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCN3C(=O)C4=CC=CC=C4NC3=S

Technology Process of Nitro-altanserin

There total 6 articles about Nitro-altanserin 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:

: 52323-94-1
trimethyl(4-nitrophenyl)stannane

: 139418-53-4
nitroaltanserin

Guidance literature:: Multi-step reaction with 5 steps

1: 61 percent / mol. sieves / (Allyl-PdCl)2 / tetrahydrofuran

2: 84 percent / HCl / ethanol

3: 85 percent / K₂CO₃ / dimethylformamide

4: HBr

5: tetrahydrofuran

With hydrogenchloride; molecular sieve; hydrogen bromide; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; 1: Stille coupling / 2: debenzoylation / 3: Alkylation / 4: Hydrolysis / 5: Cyclization;

Reference yield:

: 115755-50-5
1-benzoyl-4-piperidinecarbonyl chloride

: 139418-53-4
nitroaltanserin

Guidance literature:: Multi-step reaction with 5 steps

1: 61 percent / mol. sieves / (Allyl-PdCl)2 / tetrahydrofuran

2: 84 percent / HCl / ethanol

3: 85 percent / K₂CO₃ / dimethylformamide

4: HBr

5: tetrahydrofuran

With hydrogenchloride; molecular sieve; hydrogen bromide; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; 1: Stille coupling / 2: debenzoylation / 3: Alkylation / 4: Hydrolysis / 5: Cyclization;

Reference yield:

: 115755-53-8
(1-benzoylpiperidin-4-yl)(4-nitrophenyl)methanone

: 139418-53-4
nitroaltanserin

Guidance literature:: Multi-step reaction with 4 steps

1: 84 percent / HCl / ethanol

2: 85 percent / K₂CO₃ / dimethylformamide

3: HBr

4: tetrahydrofuran

With hydrogenchloride; hydrogen bromide; potassium carbonate; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; 1: debenzoylation / 2: Alkylation / 3: Hydrolysis / 4: Cyclization;