5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone

Base Information

Chemical Name:5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone
CAS No.:329722-32-9
Molecular Formula:C₁₅H₂₂N₂O₅
Molecular Weight:310.35
Hs Code.:
DSSTox Substance ID:DTXSID90573314
Mol file:329722-32-9.mol

Synonyms:329722-32-9;5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone;1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-nitrophenyl]ethanone;1-[5-Nitro-2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]ethanone;DTXSID90573314;AKOS030255491;J-018954;1-{2-[3-(tert-Butylamino)-2-hydroxypropoxy]-5-nitrophenyl}ethan-1-one

Suppliers and Price of 5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone

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

TRC
5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone
250mg
$ 1055.00

TRC
5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone
50mg
$ 240.00

Total 2 raw suppliers

Chemical Property of 5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone

Chemical Property:

Boiling Point:481.8±45.0 °C(Predicted)
PKA:13.63±0.20(Predicted)
PSA：104.38000
Density:1.181±0.06 g/cm3(Predicted)
LogP:2.83930
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:310.15287181
Heavy Atom Count:22
Complexity:388

Purity/Quality:

97% ^*data from raw suppliers

5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC(CNC(C)(C)C)O
Uses Celiprolol intermediate.

Technology Process of 5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone

There total 10 articles about 5-Nitro-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone 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: 86.0%

: 329722-31-8
1-[5-nitro-2-(oxiran-2-ylmethoxy)phenyl]ethan-1-one

: 75-64-9
tert-butylamine

: 329722-32-9
1-{2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-nitrophenyl}ethan-1-one

Guidance literature:: In water; at 20 ℃; for 12h;
DOI:10.1021/op000297l

Reference yield:

: 850427-85-9
allyl 2-acetyl-4-nitrophenyl ether

: 329722-32-9
1-[2-(3-tert-butylamino-2-hydroxy-propoxy)-5-nitro-phenyl]-ethanone

Guidance literature:: Multi-step reaction with 5 steps

1.1: 96 percent / (DHQD)2-PHAL; OsO₄; K₂CO₃ / K₂Fe(CN)6 / 2-methyl-propan-2-ol; H₂O; toluene / 0 °C

2.1: SOCl₂; Et₃N / CH₂Cl₂ / 0 °C

3.1: 932 mg / RuCl₃*3H₂O; NaIO₄ / acetonitrile; H₂O / 0 °C

4.1: LiBr / tetrahydrofuran / 25 °C

4.2: aq. H₂SO₄ / diethyl ether / 25 °C

4.3: 85 percent / K₂CO₃ / methanol / 2 h / 0 °C

5.1: H₂O / 1 h / Heating

With ruthenium trichloride; sodium periodate; osmium(VIII) oxide; thionyl chloride; potassium carbonate; 1,4-bis(9-O-dihydroquinidine)phthalazine; triethylamine; lithium bromide; K₂Fe(CN)6; In tetrahydrofuran; dichloromethane; water; toluene; acetonitrile; tert-butyl alcohol; 1.1: Sharpless asymmetric dihydroxylation;
DOI:10.1016/j.tet.2005.01.074

Reference yield:

: 1450-76-6
1-(2-hydroxy-5-nitrophenyl)ethanone

: 329722-32-9
1-[2-(3-tert-butylamino-2-hydroxy-propoxy)-5-nitro-phenyl]-ethanone

Guidance literature:: Multi-step reaction with 6 steps

1.1: 95 percent / K₂CO₃ / acetone / 20 h / Heating

2.1: 96 percent / (DHQD)2-PHAL; OsO₄; K₂CO₃ / K₂Fe(CN)6 / 2-methyl-propan-2-ol; H₂O; toluene / 0 °C

3.1: SOCl₂; Et₃N / CH₂Cl₂ / 0 °C

4.1: 932 mg / RuCl₃*3H₂O; NaIO₄ / acetonitrile; H₂O / 0 °C

5.1: LiBr / tetrahydrofuran / 25 °C

5.2: aq. H₂SO₄ / diethyl ether / 25 °C

5.3: 85 percent / K₂CO₃ / methanol / 2 h / 0 °C

6.1: H₂O / 1 h / Heating

With ruthenium trichloride; sodium periodate; osmium(VIII) oxide; thionyl chloride; potassium carbonate; 1,4-bis(9-O-dihydroquinidine)phthalazine; triethylamine; lithium bromide; K₂Fe(CN)6; In tetrahydrofuran; dichloromethane; water; acetone; toluene; acetonitrile; tert-butyl alcohol; 2.1: Sharpless asymmetric dihydroxylation;
DOI:10.1016/j.tet.2005.01.074