(4-Tert-butylphenyl)hydrazine

Base Information

• Chemical Name: (4-Tert-butylphenyl)hydrazine
• CAS No.: 36600-66-5
• Molecular Formula: C₁₀H₁₆N₂*ClH
• Molecular Weight: 200.711
• Hs Code.: 29280000
• DSSTox Substance ID: DTXSID30957876
• Nikkaji Number: J358.835A
• Wikidata: Q72504056
• Mol file: 36600-66-5.mol

Synonyms:(4-tert-butylphenyl)hydrazine;61765-93-3;4-TERT-BUTYL-PHENYL-HYDRAZINE;4-tert-butylphenylhydrazine;(4-(tert-Butyl)phenyl)hydrazine;Hydrazine, [4-(1,1-dimethylethyl)phenyl]-;(4-(tert-Butyl)phenyl)hydrazine hydrochloride(1:x);4-t-butylphenylhydrazine;SCHEMBL486691;DTXSID30957876;QPKCNTDHLKSHGT-UHFFFAOYSA-N;BBL020474;STK501126;AKOS000157630;SB76406;BB 0249792;FT-0747532;EN300-1850651

Chemical Property of (4-Tert-butylphenyl)hydrazine

Chemical Property:

• Appearance/Colour: WHITE TO BEIGE POWDER
• Vapor Pressure: 0.00609mmHg at 25°C
• Melting Point: 212-216 °C (dec.)(lit.)
• Refractive Index: 1.566
• Boiling Point: 272.4°C at 760 mmHg
• Flash Point: 137.1°C
• PSA: 38.05000
• Density: 1.009g/cm³
• LogP: 3.84500
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.131348519
• Heavy Atom Count: 12
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butylphenylhydrazine monohydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:对眼睛、呼吸道和皮肤有刺激作用
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)NN

Technology Process of (4-Tert-butylphenyl)hydrazine

There total 2 articles about (4-Tert-butylphenyl)hydrazine 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: 90.0%

1-bromo-4-tert-butylbenzene (3972-65-4) → 4-tert-butylphenylhydrazine hydrochloride (36600-66-5,128231-55-0)

Guidance literature:

1-bromo-4-tert-butylbenzene; With potassium phosphate; copper(l) iodide; N,N′-bis(2,6-dimethylphenyl)oxalamide; cetyltrimethylammonim bromide; In water; at 80 ℃; for 0.25h; Schlenk technique; Inert atmosphere; Sealed tube;

With hydrazine hydrate; In water; at 80 ℃; Inert atmosphere; Schlenk technique; Sealed tube;

With hydrogenchloride; In water; pH=3 - 4; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1002/cjoc.201800326

Reference yield: 81.0%

4-tert-Butylaniline (769-92-6) → 4-tert-butylphenylhydrazine hydrochloride (36600-66-5,128231-55-0)

Guidance literature:

4-tert-Butylaniline; With hydrogenchloride; acetic acid; sodium nitrite; In water; at -10 ℃;

With hydrogenchloride; tin(ll) chloride; In water; at -15 ℃;

DOI:10.1016/j.ejmech.2003.07.001

Reference yield: 95.0%

(E)-1-(2-bromophenyl)-3-(N,N-dimethylamino)-2-propen-1-one (1203608-45-0) + 4-tert-butylphenylhydrazine hydrochloride (36600-66-5,128231-55-0) → 5-(2-bromophenyl)-1-(4-tert-butyl-phenyl)-1H-pyrazole

Guidance literature:

With sodium carbonate; acetic acid; In methanol; water; at 135 ℃; for 2h; pH=4; regioselective reaction;

DOI:10.1021/jo902257j

upstream raw materials:

4-tert-Butylaniline

1-bromo-4-tert-butylbenzene

Downstream raw materials:

8-^tbutyl-5,10-dihydroindeno<1,2-b>indole

5-Amino-1-(4-tert-butyl-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester

5-tert-butyl-1H-indole-2-carboxylic acid ethyl ester

Refernces

• 1、 Kumar, Siripuram Vijay,Ma, Dawei. "Synthesis of Aryl Hydrazines via CuI/BMPO Catalyzed Cross-Coupling of Aryl Halides with Hydrazine Hydrate in Water". supporting information. p. 1003 - 1006. Retrieved 2018/09/20.
• 2、 Xu, Yao-Chang,Schaus, John M.,Walker, Clint,Krushinski, Joe,Adham, Nika,Zgombick, John M.,Liang, Sidney X.,Kohlman, Dan T.,Audia, James E.. "N-methyl-5-tert-butyltryptamine: A novel, highly potent 5-HT(1D) receptor agonist". . p. 526 - 531. Retrieved 2007/10/03.