ChemicalBook CAS DataBase List 102-50-1

102-50-1

Name	2-Methyl-4-methoxybenzenamine
CAS	102-50-1
EINECS(EC#)	203-036-7
Molecular Formula	C8H11NO
MDL Number	MFCD00007735
Molecular Weight	137.18
MOL File	102-50-1.mol

Synonyms

1-AMINO-4-METHOXY-2-METHYLBENZENE 2-METHYL-4-METHOXYBENZENAMINE 2-METHYL-P-ANISIDINE 3-METHYL-4-AMINOANISOLE 4-METHOXY-2-METHYLANILINE 4-METHOXY-O-TOLUIDINE 6-AMINO-3-METHOXYTOLUENE AKOS 91136 M-CRESIDINE 2-methyl-p-anisidin 4-methoxy-2-methyl-benzenamin 4-Methoxy-2-methylbenzenamine NCI-C02993 p-Anisidine, 2-methyl- 2-Methyl-4-Methoxybenzenamine 2-Amino-5-Methoxytoluene 5-methoxy-2-methylbenzenamine meta-cresidine 2-Methyl-p-anisidine(NH2=1) 4-Methoxy-2-methylaniline (m-Cresidine) 2-Amino-5-Methoxytoluene

Chemical Properties

Appearance	brick red crystals or liquid
Melting point	13-14 °C(lit.)
Boiling point	248-249 °C(lit.)
density	1.065 g/mL at 25 °C(lit.)
refractive index	n20/D 1.565(lit.)
Fp	>230 °F
storage temp.	Refrigerator
solubility	Acetonitrile (Slightly), Chloroform (Slightly), DMSO, Methanol (Slightly)
form	Oil
pka	5.05±0.10(Predicted)
color	Light Brown to Very Dark Red
Stability:	Stable. May be light or air-sensitive. Combustible. Incompatible with acids, strong oxidizing agents.
Water Solubility	insoluble, <0.1 g/100 mL at 21.5 ºC
Detection Methods	HPLC,NMR
BRN	774727
InChI	1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
InChIKey	CDGNLUSBENXDGG-UHFFFAOYSA-N
SMILES	COc1ccc(N)c(C)c1
CAS DataBase Reference	102-50-1(CAS DataBase Reference)
IARC	3 (Vol. 27, Sup 7) 1987
NIST Chemistry Reference	Benzenamine, 4-methoxy-2-methyl-(102-50-1)
EPA Substance Registry System	102-50-1(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H319-H335
Precautionary statements	P302+P352-P305+P351+P338
Hazard Codes	Xi,Xn,T
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . R40:Limited evidence of a carcinogenic effect. R45:May cause cancer. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S53:Avoid exposure-obtain special instruction before use . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . less more
RIDADR	2810
WGK Germany	3
RTECS	BZ6730000
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29222990
Storage Class	10 - Combustible liquids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Safety Profile	Suspected carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. less more
Hazardous Substances Data	102-50-1(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

Crystals or brick red liquid.

Reactivity Profile

M-CRESIDINE(102-50-1) neutralizes acids in weakly exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. Reacts with oxidizing agents .

Air & Water Reactions

Sensitive to prolonged exposure to air and light. Insoluble in water.

Health Hazard

ACUTE/CHRONIC HAZARDS: This compound is a local irritant. When heated to decomposition it emits toxic fumes of NOx. This compound is an experimental animal carcinogen.

Fire Hazard

This chemical is probably combustible.

Chemical Properties

brick red crystals or liquid

Uses

4-Methoxy-2-methylaniline is a reagent used in organic synthesis of more complex compounds that have a more specific function. For example, enzyme inhibitors.

Definition

ChEBI: Meta-Cresidine is a member of methoxybenzenes.

Synthesis

5367-32-8

102-50-1

GENERAL PROCEDURE: 3-methyl-4-nitroanisole (1.0 mmol), B2(OH)4 (5.0 eq., 5.0 mmol) and H2O (3.0 mL) were added to a 10 mL reaction tube. The reaction mixture was stirred at 80 °C for 8 hours. After completion of the reaction (monitored by TLC), the mixture was cooled to room temperature and extracted with ethyl acetate (3 x 20 mL). The organic phases were combined, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to give 2-methyl-4-methoxyaniline.

References

[1] Analytical Chemistry, 1992, vol. 64, # 8, p. 837 - 842
[2] ChemCatChem, 2017, vol. 9, # 16, p. 3236 - 3244
[3] Synlett, 2018, vol. 29, # 13, p. 1765 - 1768
[4] Tetrahedron, 2017, vol. 73, # 27-28, p. 3898 - 3904
[5] Helvetica Chimica Acta, 1924, vol. 7, p. 698

Material Safety Data Sheet(MSDS)

Spectrum Detail

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