Cas no 57120-36-2 (4-tert-Butoxyaniline)

4-tert-Butoxyaniline is a substituted aniline derivative featuring a tert-butoxy group at the para position. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of dyes, pharmaceuticals, and agrochemicals. Its tert-butoxy substituent enhances steric hindrance and electron-donating effects, influencing reactivity in coupling and substitution reactions. The compound exhibits moderate solubility in organic solvents, facilitating its use in various synthetic applications. Its stability under standard conditions makes it a reliable reagent for controlled functionalization processes. 4-tert-Butoxyaniline is valued for its role in constructing complex molecular architectures, particularly in fine chemical and specialty material synthesis.
4-tert-Butoxyaniline structure
4-tert-Butoxyaniline structure
Product Name:4-tert-Butoxyaniline
CAS No:57120-36-2
MF:C10H15NO
MW:165.232202768326
MDL:MFCD11196184
CID:856335
PubChem ID:11159518
Update Time:2025-10-30

4-tert-Butoxyaniline Chemical and Physical Properties

Names and Identifiers

    • 4-(tert-Butoxy)aniline
    • 4-[(2-methylpropan-2-yl)oxy]aniline
    • 4-TERT-BUTOXYANILINE
    • 4-tert-butoxybenzenamine
    • 4-t-butoxyaniline
    • 4-tert-Butoxy-anilin
    • 4-tert-butoxy-aniline
    • ACMC-209lw5
    • ANW-32643
    • CTK5A6330
    • N-tert-butoxyaniline
    • p-(tert-Butyloxy)-anilin
    • p-tert-Butoxyanilin
    • SureCN292991
    • MFCD11196184
    • EN300-85583
    • CS-0212602
    • SB76313
    • DA-04772
    • DTXSID80457179
    • SCHEMBL292991
    • 4-tert-Butoxyaniline, AldrichCPR
    • F0001-1492
    • AS-44498
    • 57120-36-2
    • NJLJXOXRYXXBOF-UHFFFAOYSA-N
    • AKOS009257565
    • AB10504
    • Z362795876
    • 4-tert-Butoxyaniline
    • MDL: MFCD11196184
    • Inchi: 1S/C10H15NO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,11H2,1-3H3
    • InChI Key: NJLJXOXRYXXBOF-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)N)C(C)(C)C

Computed Properties

  • Exact Mass: 165.11545
  • Monoisotopic Mass: 165.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 131
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • PSA: 35.25

4-tert-Butoxyaniline Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H317
  • Warning Statement: P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Category Code: 43
  • Safety Instruction: 36/37
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

4-tert-Butoxyaniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
I171037-1g
4-tert-Butoxyaniline
57120-36-2
1g
¥1,737.00 2021-05-21
Fluorochem
209401-250mg
4-(tert-Butoxy)aniline
57120-36-2 95%
250mg
£33.00 2022-03-01
Fluorochem
209401-5g
4-(tert-Butoxy)aniline
57120-36-2 95%
5g
£360.00 2022-03-01
Fluorochem
209401-1g
4-(tert-Butoxy)aniline
57120-36-2 95%
1g
£88.00 2022-03-01
Alichem
A019148505-5g
4-(tert-Butoxy)aniline
57120-36-2 95%
5g
$318.00 2023-09-01
TRC
B810218-50mg
4-(tert-Butoxy)aniline
57120-36-2
50mg
$ 50.00 2022-06-06
TRC
B810218-100mg
4-(tert-Butoxy)aniline
57120-36-2
100mg
$ 65.00 2022-06-06
TRC
B810218-500mg
4-(tert-Butoxy)aniline
57120-36-2
500mg
$ 160.00 2022-06-06
Apollo Scientific
OR909518-1g
4-tert-Butoxyaniline
57120-36-2 96%
1g
£134.00 2025-02-20
Apollo Scientific
OR909518-5g
4-tert-Butoxyaniline
57120-36-2 96%
5g
£457.00 2025-02-20

Additional information on 4-tert-Butoxyaniline

Comprehensive Overview of 4-tert-Butoxyaniline (CAS No. 57120-36-2)

4-tert-Butoxyaniline, with the CAS number 57120-36-2, is a versatile organic compound that has garnered significant attention in the fields of chemical synthesis, pharmaceutical research, and materials science. This compound is characterized by its unique molecular structure, which consists of an aniline moiety substituted with a tert-butoxy group. The tert-butoxy group imparts significant steric and electronic effects, making 4-tert-Butoxyaniline a valuable intermediate in various synthetic pathways.

In recent years, the application of 4-tert-Butoxyaniline has expanded beyond traditional uses. Its ability to undergo selective functionalization and its stability under a wide range of reaction conditions have made it an attractive candidate for the development of novel materials and pharmaceuticals. For instance, researchers have explored the use of 4-tert-Butoxyaniline in the synthesis of advanced polymers with enhanced mechanical and thermal properties. These polymers have potential applications in areas such as electronics, coatings, and biomedical devices.

The pharmaceutical industry has also shown a keen interest in 4-tert-Butoxyaniline. Studies have demonstrated its utility as a building block for the synthesis of bioactive molecules. One notable example is its use in the development of small-molecule inhibitors targeting specific enzymes involved in disease pathways. These inhibitors have shown promise in preclinical studies for treating conditions such as cancer and neurodegenerative disorders. The tert-butoxy group's steric hindrance can improve the selectivity and bioavailability of these compounds, enhancing their therapeutic potential.

In addition to its synthetic applications, 4-tert-Butoxyaniline has been studied for its intrinsic properties. Its electronic structure and molecular geometry make it a suitable candidate for investigating fundamental aspects of chemical reactivity and molecular interactions. For example, computational studies have provided insights into the electronic distribution and reactivity patterns of 4-tert-Butoxyaniline, which can inform the design of more efficient synthetic routes and functional materials.

The environmental impact of chemicals is a growing concern, and research on 4-tert-Butoxyaniline has not overlooked this aspect. Studies have evaluated its biodegradability and toxicity to ensure that its use in industrial processes is sustainable and safe. Preliminary findings suggest that under controlled conditions, 4-tert-Butoxyaniline can be effectively managed to minimize environmental risks.

In conclusion, 4-tert-Butoxyaniline (CAS No. 57120-36-2) is a multifaceted compound with a wide range of applications in chemical synthesis, materials science, and pharmaceutical research. Its unique properties make it an essential intermediate for developing advanced materials and bioactive molecules. Ongoing research continues to uncover new possibilities for its use, ensuring that it remains a topic of interest for scientists and engineers across various disciplines.

Recommended suppliers
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd