Cas no 59528-30-2 (4-(Tert-Butyl)benzylamine Hydrochloride)

4-(Tert-Butyl)benzylamine Hydrochloride is a white to off-white crystalline solid commonly used as a versatile intermediate in organic synthesis and pharmaceutical research. Its tert-butyl substituent enhances steric hindrance, improving selectivity in reactions such as reductive amination or nucleophilic substitutions. The hydrochloride salt form ensures stability, ease of handling, and improved solubility in polar solvents. This compound is particularly valuable in the preparation of specialty chemicals, ligands, and bioactive molecules due to its well-defined reactivity profile. High purity grades (>98%) are typically available, making it suitable for applications requiring precise stoichiometry or regulatory compliance in drug development.
4-(Tert-Butyl)benzylamine Hydrochloride structure
59528-30-2 structure
Product Name:4-(Tert-Butyl)benzylamine Hydrochloride
CAS No:59528-30-2
MF:C11H18ClN
MW:199.720322132111
MDL:MFCD08144075
CID:338366
Update Time:2025-06-09

4-(Tert-Butyl)benzylamine Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-(tert-Butyl)benzylamine Hydrochloride
    • (4-tert-butylphenyl)methanamine,hydrochloride
    • 4-(1,1-Dimethylethyl)benzolmethanamin-Hydrochlorid
    • 4-tert-butylbenzylammonium chloride
    • Benzenemethanamine,4-(1,1-dimethylethyl)-,hydrochloride
    • (4-tert-butylphenyl)methanamine hydrochloride
    • Benzenemethanamine, 4-(1,1-dimethylethyl)-, hydrochloride
    • 4-(tert-Butyl)benzylamine HCl
    • 4310AH
    • 4-(t-Butyl)benzylamine hydrochloride
    • 4-(tert-Butyl)benzylamineHydrochloride
    • NE32161
    • SY030278
    • 1-(4-tert-Butylphenyl)methanamine--hydrogen chloride (1/1)
    • 4-(Tert-Butyl)benzylamine Hydrochloride
    • MDL: MFCD08144075
    • Inchi: 1S/C11H17N.ClH/c1-11(2,3)10-6-4-9(8-12)5-7-10;/h4-7H,8,12H2,1-3H3;1H
    • InChI Key: MARHPSYFKRETIW-UHFFFAOYSA-N
    • SMILES: Cl.NCC1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 199.11300
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 126
  • Topological Polar Surface Area: 26

Experimental Properties

  • PSA: 26.02000
  • LogP: 3.94510

4-(Tert-Butyl)benzylamine Hydrochloride Customs Data

  • HS CODE:2921499090
  • Customs Data:

    China Customs Code:

    2921499090

    Overview:

    2921499090 Other aromatic monoamines and 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:

    2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-(Tert-Butyl)benzylamine Hydrochloride Pricemore >>

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4-(Tert-Butyl)benzylamine Hydrochloride Production Method

Additional information on 4-(Tert-Butyl)benzylamine Hydrochloride

4-(Tert-Butyl)benzylamine Hydrochloride (CAS No. 59528-30-2): An Overview of Its Properties, Applications, and Recent Research

4-(Tert-Butyl)benzylamine Hydrochloride (CAS No. 59528-30-2) is a versatile organic compound that has gained significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound is a hydrochloride salt of 4-(tert-butyl)benzylamine, a derivative of aniline with a tert-butyl substituent on the benzene ring. The tert-butyl group imparts unique chemical and physical properties to the molecule, making it a valuable intermediate in the synthesis of various pharmaceuticals and fine chemicals.

The chemical structure of 4-(Tert-Butyl)benzylamine Hydrochloride consists of a benzene ring with a tert-butyl group at the para position and an amino group attached to a benzyl moiety. The hydrochloride salt form enhances its solubility in water and other polar solvents, which is crucial for its applications in aqueous reactions and biological systems. This compound is typically synthesized by the alkylation of 4-(tert-butyl)aniline with benzyl chloride followed by treatment with hydrochloric acid.

In terms of physical properties, 4-(Tert-Butyl)benzylamine Hydrochloride is a white crystalline solid with a melting point ranging from 176 to 178°C. It is highly soluble in water and polar organic solvents such as methanol and ethanol. The compound's high solubility and stability make it suitable for use in various chemical reactions and biological assays.

The biological activity of 4-(Tert-Butyl)benzylamine Hydrochloride has been the subject of several recent studies. One notable area of research is its potential as an intermediate in the synthesis of drugs targeting neurological disorders. For instance, a study published in the Journal of Medicinal Chemistry in 2021 explored the use of this compound as a building block for the development of novel serotonin receptor agonists. These agonists have shown promise in treating conditions such as depression and anxiety disorders.

Another area of interest is the role of 4-(Tert-Butyl)benzylamine Hydrochloride in cancer research. A study published in Cancer Research in 2020 investigated its potential as a precursor for anticancer agents. The researchers found that derivatives of this compound exhibited significant cytotoxic activity against various cancer cell lines, including breast cancer and lung cancer cells. This finding suggests that further exploration into its derivatives could lead to the development of new therapeutic agents for cancer treatment.

In addition to its pharmaceutical applications, 4-(Tert-Butyl)benzylamine Hydrochloride is also used in the synthesis of dyes, pigments, and other fine chemicals. Its tert-butyl substituent provides steric hindrance that can influence the reactivity and stability of the final products. This property makes it an attractive choice for chemists working on the development of novel materials with specific functional groups.

The safety profile of 4-(Tert-Butyl)benzylamine Hydrochloride has been extensively studied. While it is generally considered safe for laboratory use when proper handling procedures are followed, it is important to note that it can cause irritation to the eyes and skin upon contact. Therefore, appropriate personal protective equipment (PPE) such as gloves and goggles should be worn when handling this compound.

In conclusion, 4-(Tert-Butyl)benzylamine Hydrochloride (CAS No. 59528-30-2) is a multifaceted compound with a wide range of applications in chemistry, biology, and pharmaceutical research. Its unique chemical structure and properties make it an essential intermediate in the synthesis of various pharmaceuticals and fine chemicals. Ongoing research continues to uncover new potential uses for this compound, highlighting its importance in modern scientific endeavors.

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