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Tert-butyl 4-(aminomethyl)benzoate is an organic compound that serves as an intermediate in the synthesis of benzimidazoles and their analogs. It is characterized by its ability to form a stable amide bond with carboxylic acids, which makes it a valuable building block in organic chemistry.

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  • 107045-28-3 Structure
  • Basic information

    1. Product Name: tert-butyl 4-(aMinoMethyl)benzoate
    2. Synonyms: tert-butyl 4-(aMinoMethyl)benzoate;4-(aMinoMethyl)benzoic acid tert-butyl ester
    3. CAS NO:107045-28-3
    4. Molecular Formula: C12H17NO2
    5. Molecular Weight: 207.26888
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 107045-28-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 311.8±25.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.052±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: N/A
    9. PKA: 8.66±0.10(Predicted)
    10. CAS DataBase Reference: tert-butyl 4-(aMinoMethyl)benzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-butyl 4-(aMinoMethyl)benzoate(107045-28-3)
    12. EPA Substance Registry System: tert-butyl 4-(aMinoMethyl)benzoate(107045-28-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 107045-28-3(Hazardous Substances Data)

107045-28-3 Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl 4-(aminomethyl)benzoate is used as a reactant in the preparation of benzimidazoles and their analogs for their application as protein kinase inhibitors. These inhibitors play a crucial role in the development of drugs targeting various diseases, including cancer and inflammatory conditions, by modulating the activity of specific protein kinases involved in disease progression.
Used in Organic Chemistry:
In the field of organic chemistry, tert-butyl 4-(aminomethyl)benzoate is utilized as a versatile building block for the synthesis of various complex organic molecules. Its ability to form stable amide bonds with carboxylic acids allows for the creation of a wide range of compounds with potential applications in various industries, such as pharmaceuticals, agrochemicals, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 107045-28-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,7,0,4 and 5 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 107045-28:
(8*1)+(7*0)+(6*7)+(5*0)+(4*4)+(3*5)+(2*2)+(1*8)=93
93 % 10 = 3
So 107045-28-3 is a valid CAS Registry Number.

107045-28-3Relevant articles and documents

BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5

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Page/Page column 32-33, (2021/06/04)

The present invention relates to novel benzylamide derivatives of formula (I) to processes for the preparation of said compounds; to pharmaceutical compositions comprising said compounds and to said compounds for use in the treatment of pathological conditions or diseases that can improve by inhibition of transforming growth factor-β receptor I (TGFβRI)/ALK5, such as diseases and disorders associated to fibrotic conditions of gastrointestinal system, skin and eyes, to methods for the treatment and/or prevention of said diseases or pathological conditions and to combinations comprising said compounds and further comprising therapeutically effective amounts of other therapeutic agents useful for the treatment of said diseases or pathological conditions.

TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF

-

, (2021/12/08)

The present disclosure relates to compounds which modulate the activity of Toll-like receptor (TLR) proteins, including agonists or activators, partial agonists, and antagonists. Of particular interest of compounds that modulate the activity of TLR2, as well as methods of using such compounds to treat cancer and other disorders associated with a TLR2 pathway.

Fe molecular-fluorescence testing fluid, preparation method thereof and application of Fe molecular-fluorescence testing fluid

-

Paragraph 0073; 0077-0079; 0102-0107, (2018/12/14)

The invention provides Fe molecular-fluorescence testing fluid, a preparation method thereof and application of the Fe molecular-fluorescence testing fluid. The Fe molecular-fluorescence testing fluid comprises a Fe molecular-fluorescence

Preparation method of Na molecular fluorescent intermediate and preparation method of Na molecular fluorescent sensor

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Paragraph 0125-0127; 0174-0179, (2019/01/04)

The invention provides a preparation method of a Na molecular fluorescent intermediate and a preparation method of a Na molecular fluorescent sensor. The Na molecular fluorescent intermediatehas a structure as shown in a formula I. The preparation method of the Na molecular fluorescent intermediate comprises the following steps: S1, carrying out a substitution reaction on o-anisidineand alpha-methyl haloacetate to obtain a compound 2; S2, carrying out a reduction reaction on the compound 2 to obtain a compound 3; S3, carrying out a hydroxyl substitution on the compound 4 by adopting toluene sulfonyl chloride to obtain a compound 5, wherein the compound 4 has a structural formula as the follows; S4, carrying out a cyclization reaction on the compound 3 and the compound 5 to obtain a compound 6; S5, carrying out a formylation reaction on the compound 6 to obtain a compound 7; S6, carrying out a henry reaction on the compound 7 with nitromethane to obtain a compound 8; and S7, carrying out nitroso reduction reaction on the compound 8 to obtain the Na molecular fluorescent intermediate. The method is beneficial to improving the yield of the Na molecular fluorescentintermediate.

Fe molecular fluorescence testing agent and preparation method thereof

-

Paragraph 0067; 0071; 0072; 0073, (2018/11/03)

The invention provides a Fe molecular fluorescence testing agent and a preparation method thereof. The Fe molecular fluorescence testing agent has a structure represented by a formula (I). Theprovided Fe molecular fluorescence testing agent ta

INHIBITORS FOR PROLIFERATING CELL NUCLEAR ANTIGEN AND USES

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Paragraph 00127, (2017/07/06)

The present invention relates to series of compounds as an inhibitor targeting Proliferating Cell Nuclear Antigen (PCNA). Pharmaceutical compositions of those compounds and methods of using them in the treatment of cancer are within the scope of this disclosure.

Discovery of 1,2,4-thiadiazolidine-3,5-dione analogs that exhibit unusual and selective rapid cell death kinetics against acute myelogenous leukemia cells in culture

Nasim, Shama,Guzman, Monica L.,Jordan, Craig T.,Crooks, Peter A.

scheme or table, p. 4879 - 4883 (2011/09/16)

4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione (TDZD-8) was previously identified as an antileukemic agent exhibiting no evident toxicity toward normal hematopoietic cells. An SAR study has been carried out to examine the effect of varying the C-2 and

Design and synthesis of sulfur-35 agents and their applications for protein labeling

Ren, Sumei,McNamara, Paul,Koharski, David,Hesk, David,Borges, Scott

experimental part, p. 316 - 323 (2010/07/06)

Two new 35S reagents were developed to radiolabel proteins. The first reagent, N-succinimidyl-4-(methane [35S]sulfonylamino-methyl)- benzoate (SMSB), acylates the e-amino group of lysine residues in proteins. The second reagent, 4-(m

Synthesis of sulfur-35 reagents for protein labeling

Ren, Sumei,Mcnamara, Paul,Koharski, David,Hesk, David,Borges, Scott

, p. 395 - 398 (2008/02/05)

Two 35S reagents were developed to radiolabel proteins. The first reagent, a N-hydroxysuccinimide (NHS) ester (SMSB), acylates the ε-amino group of lysine residues in proteins. The second reagent, an aldehyde (MSAPPA), labels lysine residues vi

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