2-(Hydroxymethyl)-2-(4-nitrophenyl)propane-1,3-diol

Base Information

Chemical Name:2-(Hydroxymethyl)-2-(4-nitrophenyl)propane-1,3-diol
CAS No.:91748-04-8
Molecular Formula:C₁₀H₁₃NO₅
Molecular Weight:227.217
Hs Code.:
DSSTox Substance ID:DTXSID001222772

Synonyms:2-(hydroxymethyl)-2-(4-nitrophenyl)propane-1,3-diol;91748-04-8;SCHEMBL10943065;DTXSID001222772;2-(Hydroxymethyl)-2-(4-nitrophenyl)-1,3-propanediol

Suppliers and Price of 2-(Hydroxymethyl)-2-(4-nitrophenyl)propane-1,3-diol

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

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Chemical Property of 2-(Hydroxymethyl)-2-(4-nitrophenyl)propane-1,3-diol

Chemical Property:

XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:227.07937252
Heavy Atom Count:16
Complexity:220

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C(CO)(CO)CO)[N+](=O)[O-]

Technology Process of 2-(Hydroxymethyl)-2-(4-nitrophenyl)propane-1,3-diol

There total 4 articles about 2-(Hydroxymethyl)-2-(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: 26.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 99-99-0
1-methyl-4-nitrobenzene

: 100-27-6
2-(4-nitrophenyl)ethanol

: 15121-86-5
2-(4-nitrophenyl)prop-2-en-1-ol

: 91748-03-7
1,3-dihydroxy-2-(4-nitrophenyl)propane

: 91748-04-8
2-(hydroxymethyl)-2-(4-nitrophenyl)-1,3-propanediol

Guidance literature:: With tetraethylammonium tosylate; In N,N-dimethyl-formamide; for 3.6h; Ambient temperature; electroreduction;
DOI:10.1021/jo00366a012

Reference yield:

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 99-99-0
1-methyl-4-nitrobenzene

: 100-27-6
2-(4-nitrophenyl)ethanol

: 15121-86-5
2-(4-nitrophenyl)prop-2-en-1-ol

: 91748-03-7
1,3-dihydroxy-2-(4-nitrophenyl)propane

: 91748-04-8
2-(hydroxymethyl)-2-(4-nitrophenyl)-1,3-propanediol

Guidance literature:: With tetraethylammonium tosylate; Yield given. Multistep reaction. Yields of byproduct given; 1.) DMF, RT, 2 h, electroreduction, 2.) DMF, RT, 2 h;
DOI:10.1021/jo00366a012

Reference yield:

: 66821-15-6,66821-16-7,59436-14-5
1-(2-methoxyethenyl)-4-nitrobenzene

: 91748-04-8
2-(hydroxymethyl)-2-(4-nitrophenyl)-1,3-propanediol

Guidance literature:: Multi-step reaction with 2 steps

1: 35 percent / aq. HCl / ethanol / 3 h / Heating

2: 37 percent / calcium hydroxide / tetrahydrofuran / 72 h / Heating

With hydrogenchloride; calcium hydroxide; In tetrahydrofuran; ethanol; 1: Hydrolysis / 2: Tollens condensation;
DOI:10.1021/jo9909812