2-Aminomethylphenylacetic acid supplier

Name
2-Aminomethylphenylacetic acid
EINECS 255-110-3
CAS No. 40851-65-8
Article Data13
CAS DataBase
Density 1.206 g/cm³
Solubility
Melting Point 239-240°C(lit.)
Formula C₉H₁₁NO₂
Boiling Point 328 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 152.2 °C
Transport Information
Appearance colorless crystals
Safety
Risk Codes R20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Aceticacid, (α-amino-o-tolyl)- (6CI);o-(Aminomethyl)phenylacetic acid;TL8002967;[2-(Aminomethyl)phenyl]acetic Acid;
PSA 63.32000
LogP 1.47270

Synthetic route

: 52786-77-3
sodium 2-(1-ethoxycarbonyl-1-propen-2-ylaminomethyl)phenylacetate

: 40851-65-8
2-Aminomethylphenylacetic acid

Conditions

Conditions	Yield
With hydrogenchloride In water pH=2; Cooling with ice;	79%

: 40851-66-9
2-(tert-butoxycarbonylaminomethyl)phenylacetic acid

: 40851-65-8
2-Aminomethylphenylacetic acid

Conditions

Conditions	Yield
With trifluoroacetic acid In diethyl ether at 20℃;	78%

: 170306-38-4
[2-(benzoylamino-methyl)-phenyl]-acetonitrile

: 40851-65-8
2-Aminomethylphenylacetic acid

Conditions

Conditions	Yield
With hydrogenchloride at 115℃; im Rohr;

: 40851-64-7
2-(2-(azidomethyl)phenyl)acetic acid

: 40851-65-8
2-Aminomethylphenylacetic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal

: 38379-25-8
o-chloromethylbenzylamine

: 40851-65-8
2-Aminomethylphenylacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NaOH-solution / unter Kuehlung 2: diluted alcohol 3: concentrated hydrochloric acid / 115 °C / im Rohr View Scheme

: 28837-90-3
N-(2-chloromethyl-benzyl)-benzamide

: 40851-65-8
2-Aminomethylphenylacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diluted alcohol 2: concentrated hydrochloric acid / 115 °C / im Rohr View Scheme

: 861338-62-7
bis-(2-ethoxymethyl-benzyl)-amine

: 40851-65-8
2-Aminomethylphenylacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: alcohol; hydrogen chloride 2: NaOH-solution / unter Kuehlung 3: diluted alcohol 4: concentrated hydrochloric acid / 115 °C / im Rohr View Scheme
Multi-step reaction with 4 steps 2: NaOH-solution / unter Kuehlung 3: diluted alcohol 4: concentrated hydrochloric acid / 115 °C / im Rohr View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: 2-[2-(aminomethyl)cyclohexyl]acetic acid

Conditions

Conditions	Yield
With 5wt.% Rh on activated alumina; hydrogen In water at 100℃; under 13501.4 Torr; for 24h; Autoclave;	92%

: 24424-99-5
di-tert-butyl dicarbonate

: 40851-65-8
2-Aminomethylphenylacetic acid

: 40851-66-9
2-(tert-butoxycarbonylaminomethyl)phenylacetic acid

Conditions

Conditions	Yield
With water In 1,4-dioxane at 0 - 20℃; for 3.16667h;	88.1%

: 40851-65-8
2-Aminomethylphenylacetic acid

: 141-97-9
ethyl acetoacetate

: 52786-77-3
sodium 2-(1-ethoxycarbonyl-1-propen-2-ylaminomethyl)phenylacetate

Conditions

Conditions	Yield
With sodium In ethanol Reflux;	82.3%

: 28920-43-6
(fluorenylmethoxy)carbonyl chloride

: 40851-65-8
2-Aminomethylphenylacetic acid

: 2-(2-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)phenyl)acetic acid

Conditions

Conditions	Yield
With potassium carbonate In 1,4-dioxane; water at 20℃; for 2h;	25%
Yield given;
With sodium carbonate In 1,4-dioxane; water at 20℃;

: 40851-65-8
2-Aminomethylphenylacetic acid

: 2-(4-((1H-pyrazol-1-yl)methyl)benzyl)-4-chloro-2H-pyrazolo[3,4-d]pyrimidine

: 2-(2-((2-(4-((1H-pyrazol-1-yl)methyl)benzyl)-2H-pyrazolo[3,4-d]pyrimidin-4-ylamino)methyl)phenyl)acetic acid

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 60℃;	2%

: 40851-65-8
2-Aminomethylphenylacetic acid

: 24331-94-0
1,4-dihydro-3(2H)-isoquinolinone

Conditions

Conditions	Yield
unter vermindertem Druck;
Multi-step reaction with 2 steps 1: aqueous alkaline solution 2: soda lime / 200 - 250 °C View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: 108-24-7
acetic anhydride

: 112072-92-1
[2-(acetylamino-methyl)-phenyl]-acetic acid

Conditions

Conditions	Yield
With alkaline solution

: 40851-65-8
2-Aminomethylphenylacetic acid

: 141-75-3
butyryl chloride

: 100609-65-2
[2-(butyrylamino-methyl)-phenyl]-acetic acid

Conditions

Conditions	Yield
With alkaline solution

: 40851-65-8
2-Aminomethylphenylacetic acid

: 775354-22-8
(S)-1-((R)-3-tert-Butoxycarbonylamino-4-phenyl-butyryl)-pyrrolidine-2-carboxylic acid

: [2-({[(S)-1-((R)-3-tert-Butoxycarbonylamino-4-phenyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-methyl)-phenyl]-acetic acid

Conditions

Conditions	Yield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine In dichloromethane

: 40851-65-8
2-Aminomethylphenylacetic acid

: 775354-21-7
(S)-1-((S)-2-tert-Butoxycarbonylamino-2-cyclohexyl-acetyl)-pyrrolidine-2-carboxylic acid

: [2-({[(S)-1-((S)-2-tert-Butoxycarbonylamino-2-cyclohexyl-acetyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-phenyl]-acetic acid

Conditions

Conditions	Yield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine In dichloromethane

: 40851-65-8
2-Aminomethylphenylacetic acid

: [2-({[(S)-1-((R)-3-Amino-4-phenyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-methyl)-phenyl]-acetic acid; compound with trifluoro-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: EDC; HOBt; DIEA / CH2Cl2 2: CH2Cl2 View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: [2-({[(S)-1-((S)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-phenyl]-acetic acid; compound with trifluoro-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: EDC; HOBt; DIEA / CH2Cl2 2: CH2Cl2 View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: 1125-80-0
3-methylisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous alkaline solution 2: soda lime / 250 °C / mehrtaegiges Aufbewahren der bei 94-96grad/5 Torr siedenden Fraktion des Rktprod. View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: 76039-79-7
3-n-propylisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous alkaline solution 2: soda lime / 250 °C View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: 59816-89-6
3-methyl-1,2-dihydro-isoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous alkaline solution 2: soda lime / 200 - 250 °C View Scheme

triethylamine (TEA) hydrochloride: triethylamine (TEA) hydrochloride

: 112605-39-7
4,4,4-trichloro-2-butanone

: 40851-65-8
2-Aminomethylphenylacetic acid

: 56167-90-9
α-(2-aminomethyl-1,4-cyclohexadienyl)acetic acid

Conditions

Conditions	Yield
With lithium In P2 O5; methanol hydrate

...Expand

: 40851-65-8
2-Aminomethylphenylacetic acid

: (9H-fluoren-9-yl)methyl (2-(2-((2-hydroxyethyl)amino)-2-oxoethyl)benzyl)carbamate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / 1,4-dioxane; water / 2 h / 20 °C 2: 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: (9H-fluoren-9-yl)methyl (2-(2-oxo-2-((2-oxoethyl)amino)ethyl)benzyl)carbamate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: potassium carbonate / 1,4-dioxane; water / 2 h / 20 °C 2: 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C 3: Dess-Martin periodane / dichloromethane / 2 h / 20 °C View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: (9H-fluoren-9-yl)methyl (2-(oxazol-2-ylmethyl)benzyl)carbamate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: potassium carbonate / 1,4-dioxane; water / 2 h / 20 °C 2: 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C 3: Dess-Martin periodane / dichloromethane / 2 h / 20 °C 4: Burgess Reagent / tetrahydrofuran / 12 h / 65 °C View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: (2-(oxazol-2-ylmethyl)phenyl)methanamine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: potassium carbonate / 1,4-dioxane; water / 2 h / 20 °C 2: 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C 3: Dess-Martin periodane / dichloromethane / 2 h / 20 °C 4: Burgess Reagent / tetrahydrofuran / 12 h / 65 °C 5: piperidine / 1,4-dioxane / 1 h / 50 °C View Scheme

Yield

Multi-step reaction with 5 steps
1: potassium carbonate / 1,4-dioxane; water / 2 h / 20 °C
2: 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C
3: Dess-Martin periodane / dichloromethane / 2 h / 20 °C
4: Burgess Reagent / tetrahydrofuran / 12 h / 65 °C
5: piperidine / 1,4-dioxane / 1 h / 50 °C
View Scheme

: 40851-65-8
2-Aminomethylphenylacetic acid

: 6-methyl-N-(2-(oxazol-2-ylmethyl)benzyl)-4-oxo-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: potassium carbonate / 1,4-dioxane; water / 2 h / 20 °C 2: 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C 3: Dess-Martin periodane / dichloromethane / 2 h / 20 °C 4: Burgess Reagent / tetrahydrofuran / 12 h / 65 °C 5: piperidine / 1,4-dioxane / 1 h / 50 °C 6: 2-chloro-1,3-dimethylimidazolinium chloride; triethylamine / dichloromethane / 12 h / 20 °C View Scheme

Yield

Multi-step reaction with 6 steps
1: potassium carbonate / 1,4-dioxane; water / 2 h / 20 °C
2: 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C
3: Dess-Martin periodane / dichloromethane / 2 h / 20 °C
4: Burgess Reagent / tetrahydrofuran / 12 h / 65 °C
5: piperidine / 1,4-dioxane / 1 h / 50 °C
6: 2-chloro-1,3-dimethylimidazolinium chloride; triethylamine / dichloromethane / 12 h / 20 °C
View Scheme

2-Aminomethylphenylacetic acid Specification

The Benzeneacetic acid,2-(aminomethyl)-, with the CAS registry number 40851-65-8, is also known as 2-Aminomethylphenylacetic acid. It belongs to the product categories of Pharmacetical; Organic acids; Intermediate of ceforanide. Its EINECS number is 255-110-3. This chemical's molecular formula is C₉H₁₁NO₂ and formula weight is 165.19. What's more, its IUPAC name is 2-[2-(aminomethyl)phenyl]acetic acid.

Physical properties of Benzeneacetic acid,2-(aminomethyl)- are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.97; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 45.81 cm³; (15)Molar Volume: 136.8 cm³; (16)Surface Tension: 54.2 dyne/cm; (17)Density: 1.206 g/cm³; (18)Flash Point: 152.2 °C; (19)Enthalpy of Vaporization: 60.21 kJ/mol; (20)Boiling Point: 328 °C at 760 mmHg; (21)Vapour Pressure: 7.86E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)CN
(2)InChI: InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
(3)InChIKey: VLOIVYPDUSVCLZ-UHFFFAOYSA-N

Product Name

2-Aminomethylphenylacetic acid

Synthetic route

2-Aminomethylphenylacetic acid Specification

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