(E)-beta-Fluoromethylene-m-tyramine

Base Information

Chemical Name:(E)-beta-Fluoromethylene-m-tyramine
CAS No.:85278-68-8
Molecular Formula:C₉H₁₀FNO
Molecular Weight:167.183
Hs Code.:
Nikkaji Number:J838.864D
ChEMBL ID:CHEMBL1189550
Mol file:85278-68-8.mol

Synonyms:(E)-beta-fluoromethylene-m-tyramine;MDL 72392;MDL-72392;MDL72392

Suppliers and Price of (E)-beta-Fluoromethylene-m-tyramine

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 4 raw suppliers

Chemical Property of (E)-beta-Fluoromethylene-m-tyramine

Chemical Property:

Vapor Pressure:0.000105mmHg at 25°C
Boiling Point:327.6°Cat760mmHg
Flash Point:151.9°C
PSA：46.25000
Density:1.182g/cm³
LogP:2.36160
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.074642105
Heavy Atom Count:12
Complexity:170

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)O)C(=CF)CN
Isomeric SMILES:C1=CC(=CC(=C1)O)/C(=C\F)/CN

Technology Process of (E)-beta-Fluoromethylene-m-tyramine

There total 10 articles about (E)-beta-Fluoromethylene-m-tyramine 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:

: 5000-65-7
2-bromo-3'-methoxyacetophenone

: 85278-68-8
(E)-β-fluoromethylene-m-tyramine

Guidance literature:: Multi-step reaction with 8 steps

1: 54 percent / KHF₂ / various solvent(s) / 3 h / 100 °C

2: 80 percent / NaH / toluene / 0.5 h / < 15 deg C

3: Br₂ / CCl₄ / 3 h / -5 °C

4: piperidine / diethyl ether / 2.5 h / 5 °C

5: LDA / 0.5 h / -78 °C

6: NH₃ / dimethylsulfoxide / 2.5 h / Ambient temperature

7: 1.) aq. HBr; 2.) propylene oxide / 1.) reflux, 4 h; 2.) MeOH, RT, 3 h

8: pyridoxal phosphate, mercaptoethanol / pH 7.2; incubation with hog kidney aromatic L-amino acid decarboxylase

With piperidine; mercaptoethyl alcohol; potassium hydrogen bifluoride; pyridoxal 5'-phosphate; ammonia; hydrogen bromide; bromine; sodium hydride; methyloxirane; lithium diisopropyl amide; In tetrachloromethane; diethyl ether; dimethyl sulfoxide; toluene;
DOI:10.1021/ja00323a050

Reference yield:

: 85465-52-7
ethyl 2,3-dibromo-3-(3'-methoxyphenyl)-4-fluorobutyrate

: 85278-68-8
(E)-β-fluoromethylene-m-tyramine

Guidance literature:: Multi-step reaction with 5 steps

1: piperidine / diethyl ether / 2.5 h / 5 °C

2: LDA / 0.5 h / -78 °C

3: NH₃ / dimethylsulfoxide / 2.5 h / Ambient temperature

4: 1.) aq. HBr; 2.) propylene oxide / 1.) reflux, 4 h; 2.) MeOH, RT, 3 h

5: pyridoxal phosphate, mercaptoethanol / pH 7.2; incubation with hog kidney aromatic L-amino acid decarboxylase

With piperidine; mercaptoethyl alcohol; pyridoxal 5'-phosphate; ammonia; hydrogen bromide; methyloxirane; lithium diisopropyl amide; In diethyl ether; dimethyl sulfoxide;
DOI:10.1021/ja00323a050

Reference yield:

: 146883-83-2
(Z)-2-Bromo-4-fluoro-3-(3-methoxy-phenyl)-but-2-enoic acid ethyl ester

: 85278-68-8
(E)-β-fluoromethylene-m-tyramine

Guidance literature:: Multi-step reaction with 4 steps

1: LDA / 0.5 h / -78 °C

2: NH₃ / dimethylsulfoxide / 2.5 h / Ambient temperature

3: 1.) aq. HBr; 2.) propylene oxide / 1.) reflux, 4 h; 2.) MeOH, RT, 3 h

4: pyridoxal phosphate, mercaptoethanol / pH 7.2; incubation with hog kidney aromatic L-amino acid decarboxylase

With mercaptoethyl alcohol; pyridoxal 5'-phosphate; ammonia; hydrogen bromide; methyloxirane; lithium diisopropyl amide; In dimethyl sulfoxide;
DOI:10.1021/ja00323a050