4-tert-Butylanisole

Base Information Edit

Chemical Name:4-tert-Butylanisole
CAS No.:5396-38-3
Molecular Formula:C11H16O
Molecular Weight:164.247
Hs Code.:29093090
European Community (EC) Number:226-412-2
NSC Number:1266
UNII:TS0X8A7M5Y
DSSTox Substance ID:DTXSID3063833
Nikkaji Number:J101.503F
Wikidata:Q63409615
Mol file:5396-38-3.mol

Synonyms:4-tert-Butylanisole;5396-38-3;1-(tert-butyl)-4-methoxybenzene;p-tert-Butylanisole;Anisole, p-tert-butyl-;1-tert-Butyl-4-methoxybenzene;Benzene, 1-(1,1-dimethylethyl)-4-methoxy-;p-Methoxy-tert-butylbenzene;4-tert-Butylphenyl methyl ether;1-tert-butyl-4-methoxy-benzene;4-(tert-Butyl)anisole;TS0X8A7M5Y;4-(1,1-dimethylethyl)anisole;NSC 1266;NSC-1266;EINECS 226-412-2;P-TERT-BUTYLPHENYL METHYL ETHER;AI3-03091;4-Methoxy-tert-butylbenzene;4-t-butylanisole;4-tertbutylanisole;NSC1266;UNII-TS0X8A7M5Y;4-tert-Butylanisole, 97%;SCHEMBL78643;Benzene, 1-methoxy-4-t-butyl;DTXSID3063833;4-TERT-BUTYLMETHOXYBENZENE;1-tert-Butyl-4-methoxybenzene #;1-(tert-Butyl);-4-methoxybenzene;AMY28487;STR06745;Benzene,1-dimethylethyl)-4-methoxy-;MFCD00026309;AKOS000281039;METHYL 4-TERT-BUTYLPHENYL ETHER;B0961;CS-0071956;FT-0619490;N10383;1-(1,1-DIMETHYLETHYL)-4-METHOXYBENZENE;A928947;Q63409615;F0001-1406

Suppliers and Price of 4-tert-Butylanisole

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TCI Chemical
4-tert-Butylanisole >98.0%(GC)
500mL
$ 451.00

TCI Chemical
4-tert-Butylanisole >98.0%(GC)
25mL
$ 77.00

SynQuest Laboratories
4-(tert-Butyl)anisole 97%
25 g
$ 157.00

SynQuest Laboratories
4-(tert-Butyl)anisole 97%
100 g
$ 352.00

Sigma-Aldrich
4-tert-Butylanisole 97%
25g
$ 96.50

Oakwood
1-(tert-Butyl)-4-methoxybenzene 98%
1g
$ 10.00

Medical Isotopes, Inc.
1-(tert-Butyl)-4-methoxybenzene 98%
5 g
$ 340.00

Matrix Scientific
4-(tert-Butyl)anisole >95%
25g
$ 90.00

Crysdot
1-(tert-Butyl)-4-methoxybenzene 98%
500g
$ 416.00

Chemenu
4-(tert-Butyl)anisole 95+%
500g
$ 393.00

Total 40 raw suppliers

Chemical Property of 4-tert-Butylanisole Edit

Chemical Property:

Appearance/Colour:clear colorless to slightly yellow liquid
Melting Point:18 °C
Refractive Index:n20/D 1.503(lit.)
Boiling Point:220.3 °C at 760 mmHg
Flash Point:88.2 °C
PSA：9.23000
Density:0.911 g/cm³
LogP:2.99270
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:164.120115130
Heavy Atom Count:12
Complexity:126

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butylanisole >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 11
Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)OC
Uses 4-tert-Butylanisole is used as a reactant in nucleophilic substitution of para-?substituted phenol ethers in the presence of a hypervalent iodine compound.

Technology Process of 4-tert-Butylanisole

There total 84 articles about 4-tert-Butylanisole 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: 98.0%

: 98-54-4
para-tert-butylphenol

: 3-bromophenyltrimethylammonium iodide

: 5396-38-3
1-(tert-butyl)-4-methoxybenzene

Guidance literature:: With potassium carbonate; In dimethyl sulfoxide; at 80 ℃; for 3h; Solvent; Reagent/catalyst;
DOI:10.1039/d1sc00757b

Reference yield: 98.0%

: 67-56-1
methanol

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 5396-38-3
1-(tert-butyl)-4-methoxybenzene

Guidance literature:: With triethylamine; at 20 ℃; for 48h; Irradiation; Schlenk technique;
DOI:10.1039/d1gc01902c

Reference yield: 97.9%

: 507-19-7
t-butyl bromide

: 100-66-3
methoxybenzene

: 5396-38-3
1-(tert-butyl)-4-methoxybenzene

Guidance literature:: With o-tetrachloroquinone; C₁₆H₂₁IMoO₃; In 1,2-dichloro-ethane; at 80 ℃; for 8h; regioselective reaction; Inert atmosphere; Schlenk technique; Green chemistry;
DOI:10.1007/s11243-015-0014-3