4-tert-Butyl-2,6-diaminoanisole

Base Information

• Chemical Name: 4-tert-Butyl-2,6-diaminoanisole
• CAS No.: 473269-70-4
• Molecular Formula: C11H18N2O
• Molecular Weight: 194.277
• Hs Code.: 2922299090
• European Community (EC) Number: 626-112-5
• DSSTox Substance ID: DTXSID60400320
• Nikkaji Number: J2.181.794E
• Wikidata: Q72502824
• Mol file: 473269-70-4.mol

Synonyms:473269-70-4;4-tert-Butyl-2,6-diaminoanisole;5-(Tert-butyl)-2-methoxybenzene-1,3-diamine;5-tert-butyl-2-methoxybenzene-1,3-diamine;2-METHOXY-5-TERT-BUTYLBENZENE-1,3-DIAMINE;5-tert-butyl-2-methoxy-benzene-1,3-diamine;SCHEMBL690103;4-t-butyl-2,6-diaminoanisole;DTXSID60400320;SDOPSILBEXNRPI-UHFFFAOYSA-N;MFCD03701559;AKOS015890622;4-tert-Butyl-2,6-diaminoanisole, 97%;AS-40362;4-TERT-BUTYL-26-DIAMINOANISOLE97;1,3-Diamino-2-methoxy-5-tert-butylbenzene;5-tert-butyl-2-methoxy-1,3-diamino-benzene;CS-0332110;FT-0658010;A827184

Chemical Property of 4-tert-Butyl-2,6-diaminoanisole

Chemical Property:

• Vapor Pressure: 0.000172mmHg at 25°C
• Melting Point: 111-113 °C(lit.)
• Refractive Index: 1.56
• Boiling Point: 329.9 °C at 760 mmHg
• Flash Point: 161.1 °C
• PSA: 61.27000
• Density: 1.051 g/cm³
• LogP: 3.31950
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.141913202
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butyl-2,6-diaminoanisole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-tert-Butyl-2,6-diaminoanisole

There total 2 articles about 4-tert-Butyl-2,6-diaminoanisole 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: 96.0%

5-tert-butyl-2-methoxy-1,3-dinitrobenzene (77055-30-2) → 5-tert-butyl-2-methoxybenzene-1,3-diamine (473269-70-4)

Guidance literature:

With hydrogen; In ethyl acetate; at 20 ℃; for 4h; under 2068.65 Torr;

DOI:10.1021/jm070415w

Reference yield: 69.0%

→ 5-tert-butyl-2-methoxybenzene-1,3-diamine (473269-70-4)

Guidance literature:

Reference yield: 87.2%

5-tert-butyl-2-methoxybenzene-1,3-diamine (473269-70-4) + Ethyl oxalyl chloride (4755-77-5) → C19H26N2O7 (1379594-80-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 5 - 25 ℃; for 24h;

DOI:10.1039/c1ce05302g

upstream raw materials:

5-tert-butyl-2-methoxy-1,3-dinitrobenzene

Downstream raw materials:

di-tert-butyl (5-tert-butyl-2-methoxyphenyl)-1,3-dicarbamate

N,N'-bis(3-bromo-5-tert-butyl-2-methoxyphenyl)-5-tert-butyl-2-methoxy-1,3-phenylenediamine

N-(3-amino-5-tert-butyl-2-methoxy-phenyl)-methanesulfonamide

4-nitro-benzo[b]thiophene-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide

Refernces

• 1、 Goldberg, Daniel R.,Hao, Ming-Hong,Qian, Kevin C.,Swinamer, Alan D.,Gao, Donghong A.,Xiong, Zhaoming,Sarko, Chris,Berry, Angela,Lord, John,Magolda, Ronald L.,Fadra, Tazmeen,Kroe, Rachel R.,Kukulka, Alison,Madwed, Jeffrey B.,Martin, Leslie,Pargellis, Christopher,Skow, Donna,Song, Jinhua J.,Tan, Zhulin,Torcellini, Carol A.,Zimmitti, Clare S.,Yee, Nathan K.,Moss, Neil. "Discovery and optimization of p38 inhibitors via computer-assisted drug design". . p. 4016 - 4026. Retrieved 2008/02/12.
• 2、 -. "1,4-Disubstituted benzo-fused compounds". . . Retrieved 2008/06/13.