(R)-1-phenoxypropan-2-aMine

Base Information

• Chemical Name: (R)-1-phenoxypropan-2-aMine
• CAS No.: 45972-74-5
• Molecular Formula: C9H13 N O
• Molecular Weight: 151.208
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID801309079
• Nikkaji Number: J64.805A
• Mol file: 45972-74-5.mol

Synonyms:(R)-1-phenoxypropan-2-aMine;45972-74-5;(2R)-1-phenoxypropan-2-amine;(2R)-1-PHENOXY-2-PROPANAMINE;SCHEMBL507119;(R)-1-phenoxy-2-propanamine;(R)-1-Phenoxy-2-propylamine;(R)-3-Phenoxy-2-propaneamine;IKYFHRVPKIFGMH-MRVPVSSYSA-N;DTXSID801309079;(R)-1-Methyl-2-phenoxy-ethylamine;AKOS017404939;CS-0452658;EN300-2982955

Chemical Property of (R)-1-phenoxypropan-2-aMine

Chemical Property:

• Vapor Pressure: 0.0378mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 240.5°C at 760 mmHg
• Flash Point: 99.5°C
• PSA: 35.25000
• Density: 1.004g/cm³
• LogP: 2.11290
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

98%Min ^*data from raw suppliers

(R)-1-Phenoxy-2-propanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC1=CC=CC=C1)N
• Isomeric SMILES: C[C@H](COC1=CC=CC=C1)N
• Uses: (R)-1-Phenoxy-2-propanamine is an intermediate used in the synthesis of N-(1-Phenoxypropan-2-yl)benzamide (P318785), which is an impurity E of the drug Phenoxybenzamine Hydrochloride (P227990), an irreversible α-antagonist used in the treatment of hypertension. It has a relatively slow onset and prolonged effect when compared to alternative α-blockers.

Technology Process of (R)-1-phenoxypropan-2-aMine

There total 19 articles about (R)-1-phenoxypropan-2-aMine 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: 99.8%

3-phenoxy-2-propanone (621-87-4) + 2-Pentanone (107-87-9) → (R)‐2‐aminopentane (625-30-9,33985-20-5,54542-13-1,63493-28-7) + R-(-)-1-phenoxy-2-propanamine (45972-74-5)

Guidance literature:

With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase; ammonium formate; nicotinamide adenine dinucleotide; In aq. buffer; at 30 ℃; for 24h; pH=8.8; Catalytic behavior; Green chemistry; Enzymatic reaction;

DOI:10.1021/acs.joc.9b02445

Reference yield: 99.0%

3-phenoxy-2-propanone (621-87-4) → R-(-)-1-phenoxy-2-propanamine (45972-74-5)

Guidance literature:

With glucose dehydrogenase; D-Alanine; D-glucose; ω-transaminase ATA-117; pyridoxal 5'-phosphate; nicotinamide adenine dinucleotide; lactate dehydrogenase; In dimethyl sulfoxide; at 30 ℃; for 24h; pH=7; optical yield given as %ee; stereoselective reaction; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1002/adsc.200800496

Reference yield: 69.0%

2-[(R)-N-(tert-butyloxycarbonyl)amino]-1-phenoxypropane (155768-90-4) → R-(-)-1-phenoxy-2-propanamine (45972-74-5)

Guidance literature:

With hydrogenchloride; In ethyl acetate;

upstream raw materials:

1-methyl-2-phenoxyethylamine

phenol

2-[(R)-N-(tert-butyloxycarbonyl)amino]-1-phenoxypropane

iodobenzene

Downstream raw materials:

(R)-2,2,2-trifluoro-N-(1-methyl-2-phenoxyethyl)acetamide

NNC 21-0074

(R)-3-(4-Isopropylphenyl)-7-methyl-N-(1-phenoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

(R)-1-methyl-2-phenoxyethylformamide