Cas no 961-38-6 (2,4,6-Tri-tert-butylaniline)

2,4,6-Tri-tert-butylaniline structure
2,4,6-Tri-tert-butylaniline structure
Product Name:2,4,6-Tri-tert-butylaniline
CAS No:961-38-6
MF:C18H31N
MW:261.445445299149
MDL:MFCD00011645
CID:83259
PubChem ID:87577432
Update Time:2024-10-25

2,4,6-Tri-tert-butylaniline Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-Tri-tert-butylaniline
    • Tributylaniline
    • (2,4,6-Tri-tert-butylphenyl)amine
    • 2,4,6-tritert-butylaniline
    • 2,4,6-Tri-tert-butylphenylamine
    • 2,4,6-tri-t-Butylaniline
    • 2,4,6-Tri(tert-butyl)aniline
    • Benzenamine, 2,4,6-tris(1,1-dimethylethyl)-
    • REJGDSCBQPJPQT-UHFFFAOYSA-N
    • 2,4,6-tris(tert-butyl)phenylamine
    • Aniline, tri-tert-butyl-
    • 2,4,6-tritert-butylphenylamine
    • Aniline, 2,4,6-tri-tert-butyl-
    • 2,4,6-Tri-tert-butyl-phenylamine
    • PubChem16758
    • Oprea1_343921
    • AMBZ0031
    • 2,
    • 2,4,6-Tris(1,1-dimethylethyl)benzenamine (ACI)
    • Aniline, 2,4,6-tri-tert-butyl- (6CI, 7CI, 8CI)
    • 2,4,6-Tris(tert-butyl)aniline
    • EINECS 213-507-9
    • SR-01000511057
    • 961-38-6
    • STK670835
    • CS-W021499
    • T1694
    • DS-0924
    • F1945-0002
    • AE-848/01459002
    • DTXSID30242118
    • AKOS002669419
    • CHEBI:190998
    • InChI=1/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H
    • 2,4,6-Tri-tert-butylaniline, 99%
    • AC-22746
    • 3-carboxy-4-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoate
    • DB-103939
    • SR-01000511057-1
    • NS00040474
    • 2,4,6-tris(tert.-butyl)anilin
    • 2 pound not4 pound not6-tri-t-Butylaniline
    • SY039915
    • EU-0017571
    • MFCD00011645
    • SCHEMBL139484
    • MDL: MFCD00011645
    • Inchi: 1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3
    • InChI Key: REJGDSCBQPJPQT-UHFFFAOYSA-N
    • SMILES: NC1C(C(C)(C)C)=CC(C(C)(C)C)=CC=1C(C)(C)C
    • BRN: 2272612

Computed Properties

  • Exact Mass: 261.24600
  • Monoisotopic Mass: 261.24565
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 273
  • 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
  • Topological Polar Surface Area: 26
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 6.3

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.896
  • Melting Point: 145.0 to 149.0 deg-C
  • Boiling Point: 302℃ at 760 mmHg
  • Flash Point: 123.7°C
  • Refractive Index: 1.498
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 26.02000
  • LogP: 5.74250
  • Sensitiveness: Light Sensitive
  • Solubility: Not determined

2,4,6-Tri-tert-butylaniline Security Information

2,4,6-Tri-tert-butylaniline Customs Data

  • HS CODE:2921420090
  • Customs Data:

    China Customs Code:

    2921420090

    Overview:

    2921420090 Other aniline derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2,4,6-Tri-tert-butylaniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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2,4,6-Tri-tert-butylaniline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triethylamine ,  Hydrogen Catalysts: Cobalt acetate tetrahydrate (complexes with phenanthroline, N doped graphene) Solvents: Ethanol ,  Water ;  55 h, 20 bar, 70 °C
Reference
Fe2O3/NGr@C- and Co-Co3O4/NGr@C-catalysed hydrogenation of nitroarenes under mild conditions
Formenti, Dario; Topf, Christoph; Junge, Kathrin; Ragaini, Fabio; Beller, Matthias, Catalysis Science & Technology, 2016, 6(12), 4473-4477

Production Method 2

Reaction Conditions
1.1 Solvents: Ethanol
Reference
Steric effects on mesomerism. XVII. Properties of aromatic nitro, amino, and acylamino compounds with bulky ortho substituents
Burgers, J.; Hoefnagel, M. A.; Verkade, P. E.; Visser, H.; Wepster, B. M., Recueil des Travaux Chimiques des Pays-Bas et de la Belgique, 1958, 77, 491-530

Production Method 3

Reaction Conditions
1.1 Reagents: Triethylamine ,  Hydrogen Catalysts: Cobalt oxide (Co3O4) (carbon-supported) ,  Cobalt (carbon-supported) Solvents: Ethanol ,  Water ;  15 h, 40 bar, 110 °C
Reference
Biomass-Derived Catalysts for Selective Hydrogenation of Nitroarenes
Sahoo, Basudev; Formenti, Dario; Topf, Christoph; Bachmann, Stephan; Scalone, Michelangelo; et al, ChemSusChem, 2017, 10(15), 3035-3039

Production Method 4

Reaction Conditions
1.1 Reagents: Zinc ,  Hydrochloric acid Solvents: Ethanol ,  Ethyl acetate ;  0.5 h, rt; 4 h, rt → 70 °C
1.2 Reagents: Ammonia Solvents: Water ;  pH 7 - 8
Reference
Direct C-H heteroarylation by an acenaphthyl-based α-diimine palladium complex: improvement of the reaction efficiency for bi(hetero)aryls under aerobic conditions
Chen, Fu-Min; Huang, Fei-Dong; Yao, Xue-Yi; Li, Tian; Liu, Feng-Shou, Organic Chemistry Frontiers, 2017, 4(12), 2336-2342

Production Method 5

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C → rt; 15 min, rt; rt → reflux; 20 min, reflux; 10 min, heated; 3 h, reflux; reflux → 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ;  0 °C
Reference
Dichloro-Cycloazatriphosphane: The Missing Link between N2P2 and P4 Ring Systems in the Systematic Development of NP Chemistry
Bresien, Jonas ; Hinz, Alexander ; Schulz, Axel ; Suhrbier, Tim; Thomas, Max; et al, Chemistry - A European Journal, 2017, 23(59), 14738-14742

Production Method 6

Reaction Conditions
1.1 Catalysts: Triphenylphosphine
Reference
Chemistry of N-(thiosulfinyl)anilines. V. Reactions of N-(thiosulfinyl)anilines with nucleophilic reagents
Inagaki, Yoshio; Hosogai, Takeo; Okazaki, Renji; Inamoto, Naoki, Bulletin of the Chemical Society of Japan, 1980, 53(1), 205-9

Production Method 7

Reaction Conditions
Reference
Chemistry of N-thiosulfinylanilines. II. Thermolysis and photolysis of N-thiosulfinylanilines
Inagaki, Yoshio; Okazaki, Renji; Inamoto, Naoki, Bulletin of the Chemical Society of Japan, 1979, 52(7), 2002-7

Production Method 8

Reaction Conditions
Reference
Sterically hindered aromatic compounds. VII. Deoxygenation of 2,5-di-tert-butyl- and 2,4,6-tri-tert-butylnitrosobenzene
Ross, L.; Barclay, C.; Khazanie, Prabhaker G.; Adams, Kenneth A. H.; Reid, Elaine, Canadian Journal of Chemistry, 1977, 55(18), 3273-9

Production Method 9

Reaction Conditions
1.1 Reagents: Sodium amalgam Solvents: Ethanol
Reference
Studies in organosulphur-nitrogen and organoselenium-nitrogen chemistry
Setiloane, Busang Peter, 1979, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Diethylene glycol dibutyl ether ,  Sodium borohydride Catalysts: 2409985-26-6 Solvents: Water ;  2 h, rt
Reference
Synthesis of water soluble Pd-Piperidoimidazolin-2-ylidene complexes and their catalytic activities in neat water
Cakir, Sinem; Tuerkmen, Hayati, Applied Organometallic Chemistry, 2020, 34(4),

Production Method 11

Reaction Conditions
Reference
Oxidation of a 5H-1,2,3-dithiazole derivative. Formation of a new type of thiolsulfinate and its decomposition involving oxygen migration
Inagaki, Yoshio; Okazaki, Renji; Inamoto, Naoki, Chemistry Letters, 1978, (10), 1095-8

Production Method 12

Reaction Conditions
1.1 Reagents: Triethylamine ,  Thiazolium, 2-(1-hydroxyethyl)-3,4-dimethyl-, 1,1,1-trifluoromethanesulfonate (1… Solvents: Dichloromethane ;  0.5 - 2 h, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  rt
1.3 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  -30 °C
1.4 Reagents: Acetyl chloride ;  -30 °C → rt; rt
Reference
Reaction of aromatic nitroso compounds with chemical models of thiamine active aldehyde
Ferreira, Luisa M.; Marques, M. Manuel B.; Gloria, Paulo M. C.; Chaves, Humberto T.; Franco, Joao-Pedro P.; et al, Tetrahedron, 2008, 64(33), 7759-7770

Production Method 13

Reaction Conditions
Reference
Reaction of 2,4,6-tri-tert-butylnitrobenzene with alkyl Grignard reagents
Inagaki, Yoshio; Okazaki, Renji; Inamoto, Naoki, Bulletin of the Chemical Society of Japan, 1975, 48(12), 3727-32

Production Method 14

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Toluene ;  1 h, 80 °C
Reference
Efficient adjustment of product selectivity using controllable Pd nanoparticles in nitroarene hydrogenation
Zhang, Jian; Wang, Liang; Chen, Fang; Xiao, Feng-Shou, Particuology, 2020, 48, 13-18

Production Method 15

Reaction Conditions
1.1 Solvents: Benzene ,  Pyridine
Reference
Retinobenzoic acids. 1. Structure-activity relationships of aromatic amides with retinoidal activity
Kagechika, Hiroyuki; Kawachi, Emiko; Hashimoto, Yuichi; Shudo, Koichi; Himi, Toshiyuki, Journal of Medicinal Chemistry, 1988, 31(11), 2182-92

Production Method 16

Reaction Conditions
Reference
Novel heterocumulenes: bisiminopropadienes and linear ketenimines
Wolf, Reinhard; Stadtmueller, Stefan; Wong, Ming Wah; Barbieux-Flammang, Monique; Flammang, Robert; et al, Chemistry - A European Journal, 1996, 2(10), 1318-1329

Production Method 17

Reaction Conditions
Reference
Picosecond laser photolysis studies of hydrogen-atom transfer reaction via heteroexcimer state in pyrene-primary and pyrene-secondary aromatic amine systems: role of hydrogen-bonding interaction between amino group of donor and π electrons of acceptor in the heteroexcimer
Okada, Tadashi; Karaki, Ichiro; Mataga, Noboru, Journal of the American Chemical Society, 1982, 104(25), 7191-5

Production Method 18

Reaction Conditions
Reference
Chemistry of N-thiosulfinylanilines. IV. Reactions of N-thiosulfinylanilines with electrophilic reagents
Inagaki, Yoshio; Okazaki, Renji; Inamoto, Naoki, Bulletin of the Chemical Society of Japan, 1979, 52(12), 3615-18

Production Method 19

Reaction Conditions
Reference
Reactions of 2,4,6-tri-tert-butylnitrosobenzene with Grignard reagents
Inagaki, Yoshio; Okazaki, Renji; Inamoto, Naoki, Bulletin of the Chemical Society of Japan, 1975, 48(2), 621-5

Production Method 20

Reaction Conditions
Reference
Photochemistry of aromatic nitro compounds. IX. Products from photolysis of 1,3,5-tri-tert-butyl-2-nitrobenzene
Doepp, Dietrich; Sailer, Karl H., Chemische Berichte, 1975, 108(1), 301-13

2,4,6-Tri-tert-butylaniline Raw materials

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Suzhou Senfeida Chemical Co., Ltd
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(CAS:961-38-6)2,4,6-Tri-tert-butylaniline
Order Number:1637826
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Quantity:Company Customization
Purity:98%
Pricing Information Last Updated:Monday, 14 April 2025 21:49
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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:961-38-6)2,4,6-三叔丁基苯胺
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:30
Price ($):discuss personally

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Suzhou Senfeida Chemical Co., Ltd
(CAS:961-38-6)2,4,6-Tri-tert-butylaniline
1637826
Purity:98%
Quantity:Company Customization
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:961-38-6)2,4,6-三叔丁基苯胺
LE1637826
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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