Tert-butyl naphthalen-1-ylcarbamate

Base Information

• Chemical Name: Tert-butyl naphthalen-1-ylcarbamate
• CAS No.: 72594-62-8
• Molecular Formula: C15H17NO2
• Molecular Weight: 243.305
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60406842
• Nikkaji Number: J2.356.422J
• Wikidata: Q82211956
• Mol file: 72594-62-8.mol

Synonyms:tert-butyl naphthalen-1-ylcarbamate;72594-62-8;1-(N-BOC-Amino)naphthalene;tert-butyl N-naphthalen-1-ylcarbamate;MFCD07127697;TERT-BUTYL N-(NAPHTHALEN-1-YL)CARBAMATE;tert-Butylnaphthalen-1-ylcarbamate;N-Boc-1-naphthalenamine;a-Naphthyl-tert.-butylurethan;SCHEMBL2396852;DTXSID60406842;AMY28991;tert-butyl?naphthalen-1-ylcarbamate;AKOS003477474;BS-18013;SY317239;CS-0154410;FT-0764510;D82144;EN300-716422;J-524806;Z1258794267

Chemical Property of Tert-butyl naphthalen-1-ylcarbamate

Chemical Property:

• Melting Point: 95 °C
• Boiling Point: 335.5±11.0 °C(Predicted)
• PKA: 13.86±0.30(Predicted)
• PSA: 41.82000
• Density: 1.144±0.06 g/cm3(Predicted)
• LogP: 4.20040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 243.125928785
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

99%, ^*data from raw suppliers

tert-Butylnaphthalen-1-ylcarbamate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC=CC2=CC=CC=C21

Technology Process of Tert-butyl naphthalen-1-ylcarbamate

There total 4 articles about Tert-butyl naphthalen-1-ylcarbamate 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: 30.0%

N-Boc-7-azabenzobicyclo[2.2.1]heptadiene (5176-28-3) + 4-methoxy-aniline (104-94-9) → tert-butyl ((1S,2S)-2-((4-methoxyphenyl)amino)-1,2-dihydronaphthalen-1-yl) carbamate + naphthalen-1-yl-carbamic acid tert-butyl ester (72594-62-8)

Guidance literature:

With silver tetrafluoroborate; palladium diacetate; (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl; In toluene; at 90 ℃; for 24h; enantioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201500530

Reference yield:

tert-butyl ((1RS,2SR)-2-phenoxy-1,2-dihydronaphthalen-1-yl)carbamate → tert-butyl ((1R,2S)-2-phenoxy-1,2-dihydronaphthalen-1-yl)carbamate + tert-butyl ((1S,2R)-2-phenoxy-1,2-dihydronaphthalen-1-yl)carbamate + naphthalen-1-yl-carbamic acid tert-butyl ester (72594-62-8) + phenol (108-95-2,27073-41-2)

Guidance literature:

With (R)-Xyl-SDP; palladium diacetate; zinc trifluoromethanesulfonate; In 1,4-dioxane; at 70 ℃; for 1.5h; Reagent/catalyst; enantioselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2018.03.029

Reference yield:

N-Boc-7-azabenzobicyclo[2.2.1]heptadiene (5176-28-3) + phenol (108-95-2,27073-41-2) → tert-butyl ((1R,2S)-2-phenoxy-1,2-dihydronaphthalen-1-yl)carbamate + tert-butyl ((1S,2R)-2-phenoxy-1,2-dihydronaphthalen-1-yl)carbamate + tert-butyl ((1R,2R)-2-phenoxy-1,2-dihydronaphthalen-1-yl)carbamate + tert-butyl ((1S,2S)-2-phenoxy-1,2-dihydronaphthalen-1-yl)carbamate + naphthalen-1-yl-carbamic acid tert-butyl ester (72594-62-8)

Guidance literature:

With N-dimethyl-[(R)-6,6'-dimethyl-1,1'-spirobiindane-7,7'-diyl]-phosphoramidite; palladium diacetate; zinc trifluoromethanesulfonate; In toluene; at 70 ℃; for 22h; enantioselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2018.03.029

upstream raw materials:

N-Boc-7-azabenzobicyclo[2.2.1]heptadiene

4-methoxy-aniline

phenol

Downstream raw materials:

naphthalen-1-ylcarbamic acid benzyl ester

3,4-dihydrobenzo[h]quinazolin-4-one

1-amino-naphthalene

tert-butyl N-(α-naphthyl)-N-benzyl carbamate

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