CAS No.42288-26-6,N-(4-CYANO-PHENYL)-GLYCINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42288-26-6
Name:	N-(4-CYANO-PHENYL)-GLYCINE
Article Data:	18

Formula:	C₉H₈N₂O₂
Molecular Weight:	176.175
Synonyms:	Glycine,N-(p-cyanophenyl)- (6CI,7CI);2-(4-Cyanophenylamino)acetic acid;4-(((Carboxy)methyl)amino)benzonitrile;N-(p-Cyanophenyl)glycine;[(4-Cyanophenyl)amino]acetic acid;
EINECS:	459-560-3
Density:	1.3 g/cm³
Melting Point:	237 °C(dec.)
Boiling Point:	447.2 °C at 760 mmHg
Flash Point:	224.3 °C
Appearance:	Off-white solid
PSA:	73.12000
LogP:	1.12778

Synthetic route

: 79-08-3
bromoacetic acid

: 873-74-5
4-Aminobenzonitrile

: 42288-26-6
(4-cyanophenyl)glycine

Conditions

Conditions	Yield
In water at 100 - 110℃; for 3h;	88%
In water at 100℃; for 16h;
In water at 20 - 100℃; for 16.4h;
In water at 100℃; for 5h;
In water at 100℃;

: 623-00-7
4-bromobenzenecarbonitrile

: 56-40-6
glycine

: 42288-26-6
(4-cyanophenyl)glycine

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; N-((1-oxy-pyridin-2-yl)methyl)oxalamic acid In water; dimethyl sulfoxide at 25℃; for 48h; Schlenk technique; Inert atmosphere; Sealed tube; chemoselective reaction;	88%

: 3926-62-3
sodium monochloroacetic acid

: 873-74-5
4-Aminobenzonitrile

: 42288-26-6
(4-cyanophenyl)glycine

Conditions

Conditions	Yield
In water for 6.5h; Product distribution / selectivity; Reflux;	73.2%
With water at 0℃; Product distribution / selectivity; Reflux;	73.2%
Stage #1: sodium monochloroacetic acid; 4-Aminobenzonitrile With tetrabutylammomium bromide; sodium hydrogencarbonate; potassium iodide In water at 90 - 95℃; for 24h; Stage #2: With ammonia In water at 20 - 30℃; for 0.333333h; pH=7.5; Stage #3: With hydrogenchloride In water at 20 - 30℃; for 3h; pH=2.5; Product distribution / selectivity;
With tetrabutylammomium bromide; sodium hydrogencarbonate; potassium iodide In water at 90 - 95℃; for 24h;	131 g
With tetrabutylammomium bromide; sodium hydrogencarbonate; potassium iodide In water at 85 - 90℃; for 24h;	120 g

: 79-11-8
chloroacetic acid

: 873-74-5
4-Aminobenzonitrile

: 42288-26-6
(4-cyanophenyl)glycine

Conditions

Conditions	Yield
In water Reflux;	73%
In water Heating / reflux;	58%
In water Reflux;	47%
With water

: 298-12-4
Glyoxilic acid

: 873-74-5
4-Aminobenzonitrile

: 42288-26-6
(4-cyanophenyl)glycine

Conditions

Conditions	Yield
With sodium cyanoborohydride for 2h; Milling;	56%

: 144656-11-1
(4-cyanophenylamino)-acetic acid tert-butyl ester

: 42288-26-6
(4-cyanophenyl)glycine

Conditions

Conditions	Yield
With methoxybenzene; trifluoroacetic acid
With trifluoroacetic acid In dichloromethane for 24h; Ambient temperature;

: 873-74-5
4-Aminobenzonitrile

: 42288-26-6
(4-cyanophenyl)glycine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: K2CO3 / dimethylformamide / 16 h / 80 °C 2: TFA / CH2Cl2; various solvent(s) / 24 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: K2CO3 2: TFA, anisole View Scheme

: 253796-98-4
(R)-2-(4-methylamino-3-amino-phenyl)-2-tert.butyloxycarbonylamino-1-pyrrolidino-propanone

: 42288-26-6
(4-cyanophenyl)glycine

: 530-62-1
1,1'-carbonyldiimidazole

: (R)-2-(4-cyanophenylaminomethyl)-1-methyl-5-[1-(N-tert-butyloxycarbonylamino)-1-(pyrrolidinocarbonyl)-ethyl]-benzimidazole

Conditions

Conditions	Yield
In tetrahydrofuran; acetic acid	100%

...Expand

: 42288-26-6
(4-cyanophenyl)glycine

: 212322-56-0
ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate

: 948551-71-1
3-({3-[2-(4-cyano-phenylamino)-acetylamino]-4-methylamino-benzoyl}-pyridin-2-yl-amino)-ethyl propanoate

Conditions

Conditions	Yield
Stage #1: (4-cyanophenyl)glycine With 1,1'-carbonyldiimidazole In dichloromethane at 0 - 5℃; for 6h; Large scale; Stage #2: ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate In dichloromethane at 20℃; for 24h; Solvent; Reagent/catalyst; Large scale;	99.3%
Stage #1: (4-cyanophenyl)glycine With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20℃; for 0.5h; Stage #2: ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate In tetrahydrofuran at 20℃;	93.8%
Stage #1: (4-cyanophenyl)glycine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In tetrahydrofuran at 0 - 10℃; for 0.5h; Large scale; Stage #2: ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate In tetrahydrofuran at 20 - 25℃; for 6h; Large scale;	84.33%
Stage #1: (4-cyanophenyl)glycine With 1,1'-carbonyldiimidazole In tetrahydrofuran at 50℃; Stage #2: ethyl 3-{[{2-amino-1-(methylamino)phen-4-yl}carbonyl](pyridyn-2-yl)amino}propanoate In tetrahydrofuran for 24h; Heating; Further stages.;

: 42288-26-6
(4-cyanophenyl)glycine

: 73874-95-0
(piperidin-4-yl)carbamic acid tert-butyl ester

: tert-butyl N-[1-[2-(4-cyanoanilino)acetyl]-4-piperidyl]carbamate

Conditions

Conditions	Yield
With 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	99%

Raw Materials

3926-62-3

873-74-5

79-11-8

79-08-3

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Chemistry

Product Name: N-(4-Cyanophenyl)glycine (CAS NO.42288-26-6)

Molecular Formula: C₉H₈N₂O₂
Molecular Weight: 176.17g/mol
Mol File: 42288-26-6.mol
Boiling point: 447.2 °C at 760 mmHg
Flash Point: 224.3 °C
Density: 1.3 g/cm³
Index of Refraction: 1.593
Molar Refractivity: 45.87 cm³
Molar Volume: 135.2 cm³
Surface Tension: 63.4 dyne/cm
Enthalpy of Vaporization: 74.35 kJ/mol
Vapour Pressure: 8.8E-09 mmHg at 25°C