4-[2-(Tert-butylamino)-1-hydroxyethyl]phenol

Base Information

Chemical Name:4-[2-(Tert-butylamino)-1-hydroxyethyl]phenol
CAS No.:96948-64-0
Molecular Formula:C₁₂H₁₉NO₂
Molecular Weight:209.288
Hs Code.:
European Community (EC) Number:642-018-7
UNII:4RM5R3DQXG
DSSTox Substance ID:DTXSID90914243
Nikkaji Number:J65.967C
Wikidata:Q27260403
ChEMBL ID:CHEMBL1159887
Mol file:96948-64-0.mol

Synonyms:KWD 2066;KWD-2066

Suppliers and Price of 4-[2-(Tert-butylamino)-1-hydroxyethyl]phenol

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
t-Butylnorsynephrine
10mg
$ 185.00

Sigma-Aldrich
Salbutamol Impurity B Pharmaceutical Secondary Standard; Certified Reference Material
50mg
$ 548.00

Sigma-Aldrich
Salbutamol impurity B European Pharmacopoeia (EP) Reference Standard
y0000030
$ 190.00

Total 12 raw suppliers

Chemical Property of 4-[2-(Tert-butylamino)-1-hydroxyethyl]phenol

Chemical Property:

Vapor Pressure:7.25E-06mmHg at 25°C
Melting Point:172-173.5 °C
Boiling Point:361.8°Cat760mmHg
PKA:9.97±0.26(Predicted)
Flash Point:131.6°C
PSA：52.49000
Density:1.079g/cm³
LogP:2.20460
Storage Temp.:Hygroscopic, Refrigerator, under inert atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:209.141578849
Heavy Atom Count:15
Complexity:181

Purity/Quality:

99%, ^*data from raw suppliers

t-Butylnorsynephrine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)NCC(C1=CC=C(C=C1)O)O
Uses t-Butylnorsynephrine is a derivative of norsynephrine, an endogenous biogenic amine that is closely related to norepinephrine, which has effects on the adrenergic and dopaminergic system. Structure and activity tudies have shown that t-Butylnorsynephrine may also exhibit effects towards β-adrenergic receptors and β-adrenergic receptor-coupled adenylate cyclase.

Technology Process of 4-[2-(Tert-butylamino)-1-hydroxyethyl]phenol

There total 7 articles about 4-[2-(Tert-butylamino)-1-hydroxyethyl]phenol 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:

: 1-(4-(benzyloxy)phenyl)-2-(t-butylamino)ethanone

: 96948-64-0,58237-09-5,105284-29-5,7376-67-2
KWD 2066

Guidance literature:: 1-(4-(benzyloxy)phenyl)-2-(t-butylamino)ethanone; With hydrogenchloride; In dichloromethane; at 20 ℃;

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 2h; under 7757.43 Torr;
DOI:10.1021/acs.jafc.7b00130

Reference yield:

: 60853-18-1
2-tert-butylamino-1-(4-hydroxy-phenyl)-ethanone

: 96948-64-0,58237-09-5,105284-29-5,7376-67-2
KWD 2066

Guidance literature:: With palladium on activated charcoal; water; Hydrogenation;
DOI:10.1021/ja01227a004

Reference yield:

: 5324-15-2
4'-benzoyloxy-2-bromoacetophenone

: 96948-64-0,58237-09-5,105284-29-5,7376-67-2
KWD 2066

Guidance literature:: Multi-step reaction with 2 steps

1: isopropyl alcohol / Erhitzen des Reaktionsprodukts mit wss. Salzsaeure

2: water; palladium/charcoal / Hydrogenation

With palladium on activated charcoal; water; isopropyl alcohol;
DOI:10.1021/ja01227a004