Acetamide, 2-(4-(2-((2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)-, (S)-

Base Information

• Chemical Name: Acetamide, 2-(4-(2-((2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)-, (S)-
• CAS No.: 129689-30-1
• Molecular Formula: C22H30 N2 O6
• Molecular Weight: 418.49
• Hs Code.: 2924299090
• UNII: EF5S87KTK2
• DSSTox Substance ID: DTXSID50926463
• Nikkaji Number: J431.754H
• Wikidata: Q76010311
• ChEMBL ID: CHEMBL1788312
• Mol file: 129689-30-1.mol

Synonyms:(S)-4-(2-hydroxy-3-phenoxypropylaminoethoxy)-N-(2-methoxyethyl)phenoxyacetamide;ICI D7114;ZD 7114;ZD7114;Zeneca ZD7114

Chemical Property of Acetamide, 2-(4-(2-((2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)-, (S)-

Chemical Property:

• Vapor Pressure: 9.82E-18mmHg at 25°C
• Boiling Point: 649.1°Cat760mmHg
• Flash Point: 346.4°C
• PSA: 98.28000
• Density: 1.172g/cm³
• LogP: 2.82010
• Storage Temp.: Store at RT
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 418.21038668
• Heavy Atom Count: 30
• Complexity: 439

Purity/Quality:

98%min ^*data from raw suppliers

ZD 7114 hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCNC(=O)COC1=CC=C(C=C1)OCCNCC(COC2=CC=CC=C2)O
• Isomeric SMILES: COCCNC(=O)COC1=CC=C(C=C1)OCCNC[C@@H](COC2=CC=CC=C2)O
• Uses: ZD 7114 Hydrochloride, is a selective β3 adrenergic receptor agonist. β3 adrenoceptors are expressed in adipose tissue and smooth muscle.

Technology Process of Acetamide, 2-(4-(2-((2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)-, (S)-

There total 4 articles about Acetamide, 2-(4-(2-((2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)-, (S)- 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:

2-(4-{2-[Benzyl-((S)-2-hydroxy-3-phenoxy-propyl)-amino]-ethoxy}-phenoxy)-N-(2-methoxy-ethyl)-acetamide (139733-54-3) → (S)-4-(2-hydroxy-3-phenoxypropylaminoethoxy)-N-(2-methoxyethyl)phenoxyacetamide (129689-30-1)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; at 60 ℃; for 48h; under 15001.2 Torr;

DOI:10.1021/jm00088a009

Reference yield:

(R)-phenyl glycidyl ether (71031-03-3,71031-02-2) → (S)-4-(2-hydroxy-3-phenoxypropylaminoethoxy)-N-(2-methoxyethyl)phenoxyacetamide (129689-30-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.61 g / propan-2-ol / 16 h / Heating

2: H₂, acetic acid / 10percent Pd/C / methanol / 48 h / 60 °C / 15001.2 Torr

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; isopropyl alcohol;

DOI:10.1021/jm00088a009

Reference yield:

N-(2-methoxyethyl)<4-<2-(benzylamino)ethoxy>phenoxy>acetamide hydrochloride → (S)-4-(2-hydroxy-3-phenoxypropylaminoethoxy)-N-(2-methoxyethyl)phenoxyacetamide (129689-30-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.61 g / propan-2-ol / 16 h / Heating

2: H₂, acetic acid / 10percent Pd/C / methanol / 48 h / 60 °C / 15001.2 Torr

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; isopropyl alcohol;

DOI:10.1021/jm00088a009

upstream raw materials:

2-(4-{2-[Benzyl-((S)-2-hydroxy-3-phenoxy-propyl)-amino]-ethoxy}-phenoxy)-N-(2-methoxy-ethyl)-acetamide

(S)-(-)-methyl <4-<2-<(2-hydroxy-3-phenoxypropyl)amino>ethoxy>phenoxy>acetate

2-methoxyethylamine

(R)-phenyl glycidyl ether

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