tert-Butyl acetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate

Base Information

• Chemical Name: tert-Butyl acetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate
• CAS No.: 871731-76-9
• Molecular Formula: C₂₀H₂₃NO₅
• Molecular Weight: 357.406
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80469651
• Wikidata: Q82297469
• Mol file: 871731-76-9.mol

Synonyms:tert-Butyl acetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate;871731-76-9;tert-butyl N-acetyl-N-(3-acetyl-7-methoxynaphthalen-1-yl)carbamate;SCHEMBL6126436;DTXSID80469651;AKOS016000433;CS-0362708;tert-Butylacetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate

Chemical Property of tert-Butyl acetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate

Chemical Property:

• Melting Point: 131-132 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 508.6±60.0 °C(Predicted)
• PKA: -1.56±0.70(Predicted)
• PSA: 72.91000
• Density: 1.190±0.06 g/cm3(Predicted)
• LogP: 4.33900
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 357.15762283
• Heavy Atom Count: 26
• Complexity: 553

Purity/Quality:

99% ^*data from raw suppliers

tert-Butylacetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C2C=C(C=CC2=C1)OC)N(C(=O)C)C(=O)OC(C)(C)C

Technology Process of tert-Butyl acetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate

There total 4 articles about tert-Butyl acetyl(3-acetyl-7-methoxynaphthalen-1-yl)carbamate 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: 95.0%

N-(3-acetyl-7-methoxy-1-naphthalenyl)acetamide (871731-74-7) + di-tert-butyl dicarbonate (24424-99-5) → N-acetyl-(3-acetyl-7-methoxy-1-naphthalenyl)carbamic acid 1,1-dimethylethyl ester (871731-76-9)

Guidance literature:

With dmap; In acetonitrile; for 0.5h;

DOI:10.1021/jo051762l

Reference yield:

8-amino-2-naphthol (118-46-7) → N-acetyl-(3-acetyl-7-methoxy-1-naphthalenyl)carbamic acid 1,1-dimethylethyl ester (871731-76-9)

Guidance literature:

Multi-step reaction with 4 steps

1: NaH / dimethylformamide / 1.42 h / 0 - 20 °C

2: 5.41 g / CH₂Cl₂ / 1.08 h / 0 - 20 °C

3: 90 percent / AlCl₃ / nitromethane; CH₂Cl₂ / 3 h / 0 - 20 °C

4: 95 percent / 4-(dimethylamino)pyridine / acetonitrile / 0.5 h

With dmap; aluminium trichloride; sodium hydride; In nitromethane; dichloromethane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1021/jo051762l

Reference yield:

N-(7-methoxynaphthalen-1-yl)acetamide (93189-18-5) → N-acetyl-(3-acetyl-7-methoxy-1-naphthalenyl)carbamic acid 1,1-dimethylethyl ester (871731-76-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / AlCl₃ / nitromethane; CH₂Cl₂ / 3 h / 0 - 20 °C

2: 95 percent / 4-(dimethylamino)pyridine / acetonitrile / 0.5 h

With dmap; aluminium trichloride; In nitromethane; dichloromethane; acetonitrile;

DOI:10.1021/jo051762l

upstream raw materials:

N-(3-acetyl-7-methoxy-1-naphthalenyl)acetamide

di-tert-butyl dicarbonate

8-amino-2-naphthol

N-(7-methoxynaphthalen-1-yl)acetamide

Downstream raw materials:

tert-butyl 4-(3-(2-((3,4-dimethoxyphenethyl)amino)pyrimidin-4-yl)-7-methoxynaphthalen-1-yl)piperazine-1-carboxylate

4-tert-butyl-N-{7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]-1-naphthyl}benzamide

N-(3,4-dimethoxyphenethyl)-4-(6-methoxy-4-(piperazin-1-yl)naphthalen-2-yl)pyrimidin-2-amine

N-{4,8-dibromo-3-methyl-7-[[tris(1-methylethyl)silyl]oxy]-1-naphthalenyl}-3-methoxybenzamide

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