CID 4866774

Base Information

• Chemical Name: CID 4866774
• CAS No.: 329-65-7
• Molecular Formula: C9H13NO3
• Molecular Weight: 183.207
• Hs Code.: 2922509090
• Mol file: 329-65-7.mol

Synonyms:

Chemical Property of CID 4866774

Chemical Property:

• Appearance/Colour: odorless light brown or nearly white crystals
• Melting Point: 197 °C (dec.)(lit.)
• Refractive Index: 1.4760 (estimate)
• Boiling Point: 413.1 °C at 760 mmHg
• PKA: 9.60±0.10(Predicted)
• Flash Point: 207.9 °C
• PSA: 72.72000
• Density: 1.283 g/cm³
• LogP: 0.74150
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Water Solubility.: Sparingly soluble
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 183.08954328
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

rac Epinephrine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 24-36/37/38
• Safety Statements: 26-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[NH2+]CC(C1=CC(=C(C=C1)[O-])O)O
• Uses: DL-Adrenaline is a hormone and a neurotransmitter secreted by the medulla of the adrenal glands. In medicine DL-Adrenaline is used chiefly as a stimulant in cardiac arrest, as a vasoconstrictor in shock, and as a bronchodilator and antispasmodic in bronch A hormone and neurotransmitter

Technology Process of CID 4866774

There total 18 articles about CID 4866774 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: 92.7%

(S)-4-[1-hydroxy-2-(methylamino)ethyl]pyrocatechol (150-05-0,51028-73-0) → Epinephrine (329-65-7,51028-73-0)

Guidance literature:

With salicylaldehyde; acetic acid; at 90 ℃; for 4h; Temperature; Reagent/catalyst;

Reference yield: 64.0%

1-(3,4-dihydroxyphenyl)-1-oxo-2-methylamino-ethan-hydrochlorid (62-13-5) → Epinephrine (329-65-7,51028-73-0)

Guidance literature:

With hydrogen; palladium(II) hydroxide; In methanol; water; at 10 - 40 ℃; for 16h; under 150.015 Torr;

Reference yield: 54.6%

R,S-2,2'-dinitrobiphenyl-6,6'-dicarbonsaeure-di-N,N'-1-(3,4-dihydroxyphenyl)-1-hydroxy-methylamido-ethan (104819-58-1,104873-32-7,104873-33-8) → Epinephrine (329-65-7,51028-73-0)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; for 6h; Ambient temperature;

DOI:10.1016/S0040-4020(01)87372-5

upstream raw materials:

2-(benzyl-methyl-amino)-1-(3,4-dihydroxy-phenyl)-ethanone

adrenalone

benzene-1,2-diol

N-methylaminoacetaldehyde diethyl acetal

Downstream raw materials:

3,4-Dihydroxyphenylacetaldehyde

Adnamin

4-(1-chloro-2-methylamino-ethyl)-pyrocatechol; hydrochloride

(+/-)-2-(acetyl-methyl-amino)-1-(3,4-diacetoxy-phenyl)-ethanol

Refernces

• 1、 -. "Production process of adrenal glands". Paragraph 0033-0034. . Retrieved 2021/11/15.
• 2、 -. "Method for preparing racemic-form epinephrine with S-epinephrine". Paragraph 0027; 0028; 0029; 0030; 0031; 0032; 0033-0046. . Retrieved 2017/04/20.