Boc-3-Aminomethylbenzoic acid
- Product Name
- Boc-3-Aminomethylbenzoic acid
- CAS No.
- 117445-22-4
- Chemical Name
- Boc-3-Aminomethylbenzoic acid
- Synonyms
- BOC-MAMB;BOC-MAMB-OH;BOC-3-AMB-OH;RARECHEM EM WB 0054;Boc-3-AminomethylbenzoicAci;BOC-3-AMINOMETHYLBENZOIC ACID;3-(BOC-AMINOMETHYL)BENZOIC ACID;3-(N-BOC-AMINOMETHYL)BENZOIC ACID;N-BOC-3-AMINOMETHYL-BENZOIC ACID;Boc-3-Aminomethylbenzoic acid USP/EP/BP
- CBNumber
- CB4216980
- Molecular Formula
- C13H17NO4
- Formula Weight
- 251.28
- MOL File
- 117445-22-4.mol
Boc-3-Aminomethylbenzoic acid Property
- Boiling point:
- 434.6±38.0 °C(Predicted)
- Density
- 1.178±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystalline Powder or Flakes
- pka
- 4.21±0.10(Predicted)
- color
- White to off-white
- BRN
- 6957774
- Major Application
- peptide synthesis
- InChI
- 1S/C13H17NO4/c1-13(2,3)18-12(17)14-8-9-5-4-6-10(7-9)11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
- InChIKey
- MQNHKLMHRZYTBZ-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)NCc1cccc(c1)C(O)=O
- CAS DataBase Reference
- 117445-22-4(CAS DataBase Reference)
Safety
- Safety Statements
- 24/25
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29242990
- Storage Class
- 11 - Combustible Solids
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- 14971
- Product name
- 3-(Boc-aminomethyl)benzoic acid
- Purity
- ≥97.0% (HPLC)
- Packaging
- 1g
- Price
- $156
- Updated
- 2023/06/20
- Product number
- 14971
- Product name
- 3-(Boc-aminomethyl)benzoic acid
- Purity
- ≥97.0% (HPLC)
- Packaging
- 5g
- Price
- $600
- Updated
- 2023/06/20
- Product number
- B646240
- Product name
- 3-(Boc-aminomethyl)benzoic acid
- Packaging
- 1g
- Price
- $105
- Updated
- 2021/12/16
- Product number
- 037107
- Product name
- N-Boc-3-Aminomethyl-benzoicacid
- Purity
- 99%
- Packaging
- 1g
- Price
- $22
- Updated
- 2021/12/16
- Product number
- 04794
- Product name
- Boc-(3-aminomethyl) benzoic acid
- Purity
- ≥ 98% (HPLC)
- Packaging
- 1G
- Price
- $25
- Updated
- 2021/12/16
Boc-3-Aminomethylbenzoic acid Chemical Properties,Usage,Production
Chemical Properties
Off-white powder
Uses
3-(Boc-aminomethyl)benzoic Acid is used to synthesize aminodihydroquinazolines as inhibitors of BACE-1 (β-site APP cleaving enzyme). It is also used to prepare spiro[1H-indene-1,4''-piperidine] derivatives as potent and selective non-peptide human somatostatin receptor subtype 2 (sst2) agonists.
reaction suitability
reaction type: Boc solid-phase peptide synthesis
Synthesis
180863-55-2
117445-22-4
General procedure for the synthesis of 3-(N-Boc-aminomethyl)benzoic acid from methyl 3-(((tert-butoxycarbonyl)amino)methyl)benzoate: to a solution of methyl 3-(((tert-butoxycarbonyl)amino)methyl)benzoate (0.6 g, 2.20 mmol) in tetrahydrofuran (THF, 4 mL) at 25°C was added lithium hydroxide (0.3 g, 9.0 mmol) solution in water (2 mL). The reaction mixture was stirred at 50°C for 4 hours. Upon completion of the reaction, THF was removed by distillation under reduced pressure, the reaction mixture was acidified with acetic acid, and the product was subsequently extracted with ethyl acetate. The organic phase was dried with anhydrous sodium sulfate, filtered and concentrated to give the crude product. The crude product was purified by column chromatography to give 3-(N-Boc-aminomethyl)benzoic acid as a colorless solid (250 mg, 44% yield).
References
[1] Patent: WO2011/21209, 2011, A1. Location in patent: Page/Page column 71; 72
[2] Patent: US2012/101099, 2012, A1. Location in patent: Page/Page column 28-30
Boc-3-Aminomethylbenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Boc-3-Aminomethylbenzoic acid manufacturers
- Product
- Boc-3-Aminomethylbenzoic acid 117445-22-4
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100KG
- Release date
- 2019-12-31