(S(R,R))-2-(Benzylideneamino)-1-(4-nitrophenyl)propane-1,3-diol

Base Information

Chemical Name:(S(R*,R*))-2-(Benzylideneamino)-1-(4-nitrophenyl)propane-1,3-diol
CAS No.:40830-68-0
Molecular Formula:C16H16N2O4
Molecular Weight:300.314
Hs Code.:2925290090
European Community (EC) Number:255-097-4
DSSTox Substance ID:DTXSID501160571
Nikkaji Number:J294.766H
Mol file:40830-68-0.mol

Synonyms:40830-68-0;EINECS 255-097-4;(S(R*,R*))-2-(Benzylideneamino)-1-(4-nitrophenyl)propane-1,3-diol;(1S,2S)-1-(4-Nitrophenyl)-2-[(phenylmethylene)amino]-1,3-propanediol;[S(R*,R*)]-2-(benzylideneamino)-1-(4-nitrophenyl)propane-1,3-diol;DTXSID501160571;1,3-Propanediol, 1-(4-nitrophenyl)-2-((phenylmethylene)amino)-, (S-(R*,R*))-

Suppliers and Price of (S(R*,R*))-2-(Benzylideneamino)-1-(4-nitrophenyl)propane-1,3-diol

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

Total 5 raw suppliers

Chemical Property of (S(R*,R*))-2-(Benzylideneamino)-1-(4-nitrophenyl)propane-1,3-diol

Chemical Property:

Vapor Pressure:2E-12mmHg at 25°C
Boiling Point:538.4°C at 760 mmHg
Flash Point:279.4°C
PSA：98.64000
Density:1.26g/cm³
LogP:2.63140
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:300.11100700
Heavy Atom Count:22
Complexity:369

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C=NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O
Isomeric SMILES:C1=CC=C(C=C1)C=N[C@@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

Technology Process of (S(R*,R*))-2-(Benzylideneamino)-1-(4-nitrophenyl)propane-1,3-diol

There total 10 articles about (S(R*,R*))-2-(Benzylideneamino)-1-(4-nitrophenyl)propane-1,3-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:

: 119-62-0,716-61-0,2792-51-0,2792-52-1,2964-48-9,3689-55-2,63526-31-8,71115-69-0,140694-64-0
(+/-)-threo-1-(4-nitro-phenyl)-2-amino-1,3-propanediol

: 100-52-7
benzaldehyde

: 40830-68-0,55174-65-7,64816-98-4,100485-03-8
(1RS,2RS)-2-benzylidenamino-1-(4-nitro-phenyl)-propane-1,3-diol

Guidance literature:: With water;

Reference yield:

: 109694-51-1
(2Ξ,4RS)-4-((RS)-α-acetoxy-4-nitro-benzyl)-3-acetyl-2-(3-nitro-phenyl)-oxazolidine

: 40830-68-0,55174-65-7,64816-98-4,100485-03-8
(1RS,2RS)-2-benzylidenamino-1-(4-nitro-phenyl)-propane-1,3-diol

Guidance literature:: Multi-step reaction with 2 steps

1: aqueous HCl

2: ethyl acetate

With hydrogenchloride; ethyl acetate;
DOI:10.1246/bcsj.29.979

Reference yield:

: (1RS,2RS)-2-amino-1-phenyl-propane-1,3-diol; nitrate

: 40830-68-0,55174-65-7,64816-98-4,100485-03-8
(1RS,2RS)-2-benzylidenamino-1-(4-nitro-phenyl)-propane-1,3-diol

Guidance literature:: With sulfuric acid; nitric acid; Erwaermen des Reaktionsprodukts mit NH₂SO₃H und wss.H₂SO₄ und Behandeln der danach erhaltenen Reaktionsloesung mit Benzaldehyd und wss.NaOH;