CAS No.671-16-9,N-(1-Methylethyl)-4-((2-methylhydrazino)methyl)benzamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	671-16-9
Name:	N-(1-Methylethyl)-4-((2-methylhydrazino)methyl)benzamide
Article Data:	9

Formula:	C12H19 N3 O
Molecular Weight:	221.302
Synonyms:	Benzamide,N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]- (9CI);p-Toluamide,N-isopropyl-a-(2-methylhydrazino)-(7CI,8CI);1-Methyl-2-[p-(isopropylcarbamoyl)benzyl]hydrazine;4-[(2-Methylhydrazino)methyl]-N-isopropylbenzamide;CB 400-497;Ibenzmethyzine;MIH;N-Isopropyl-a-(2-methylhydrazino)-p-toluamide;Procarbazine;p-(2-Methylhydrazinomethyl)-N-isopropylbenzamide;
EINECS:	211-582-2
Density:	1.035 g/cm³
Boiling Point:	384.6 °C at 760 mmHg
Flash Point:	148.9 °C
Safety:	Questional carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Poison by intravenous route. Moderately toxic by intraperitoneal route. Has been implicated as a brain carcinogen. An experimental teratogen. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	53.16000
LogP:	2.22150

Synthetic route

: 7339-53-9, 55330-60-4, 88216-08-4
methyl hydrazine hydrochloride

: 13255-50-0
4-Formyl-benzoesaeure-isopropylamid

: 671-16-9
Procarbazine

Conditions

Conditions	Yield
Stage #1: methyl hydrazine hydrochloride; 4-Formyl-benzoesaeure-isopropylamid In ethanol for 0.333333h; Sealed tube; Stage #2: With triethylamine In ethanol at 60℃; for 6h; Sealed tube; Stage #3: With sodium cyanoborohydride In N,N-dimethyl-formamide at 0 - 20℃;	74%

: 302-15-8
methylhydrazine sulfuric acid

: 13255-50-0
4-Formyl-benzoesaeure-isopropylamid

: 671-16-9
Procarbazine

Conditions

Conditions	Yield
Stage #1: methylhydrazine sulfuric acid; 4-Formyl-benzoesaeure-isopropylamid In ethanol for 0.333333h; Stage #2: With triethylamine In ethanol at 60℃; for 6h; Stage #3: With sodium cyanoborohydride In N,N-dimethyl-formamide at 0 - 20℃;	74%
Stage #1: methylhydrazine sulfuric acid; 4-Formyl-benzoesaeure-isopropylamid With triethylamine In ethanol at 60℃; for 6h; Stage #2: With sodium cyanoborohydride In N,N-dimethyl-formamide at 0 - 20℃;	74%

: 58914-41-3
4-[(2-methyl-1,2-dicarbobenzoxyhydrazino)-methyl]-benzoic acid isopropylamide

: 671-16-9
Procarbazine

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid

: 874-60-2
4-methyl-benzoyl chloride

: 671-16-9
Procarbazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: dichloromethane 2.1: ammonium cerium (IV) nitrate; nitric acid / 24 h / 100 °C / Sealed tube 3.1: ethanol / 0.33 h / Sealed tube 3.2: 6 h / 60 °C / Sealed tube 3.3: 0 - 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: dichloromethane / 3.5 h / 20 - 40 °C 2.1: ammonium cerium (IV) nitrate; nitric acid / water / 24 h / 100 °C / Sonication 3.1: triethylamine / ethanol / 6 h / 60 °C 3.2: 0 - 20 °C View Scheme

: 99-94-5
p-Toluic acid

: 671-16-9
Procarbazine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: thionyl chloride / 2 h 2.1: dichloromethane 3.1: ammonium cerium (IV) nitrate; nitric acid / 24 h / 100 °C / Sealed tube 4.1: ethanol / 0.33 h / Sealed tube 4.2: 6 h / 60 °C / Sealed tube 4.3: 0 - 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: thionyl chloride / 3 h / 80 °C 2.1: dichloromethane / 3.5 h / 20 - 40 °C 3.1: ammonium cerium (IV) nitrate; nitric acid / water / 24 h / 100 °C / Sonication 4.1: triethylamine / ethanol / 6 h / 60 °C 4.2: 0 - 20 °C View Scheme

: 2144-17-4
N-isopropyl-4-methylbenzamide

: 671-16-9
Procarbazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: ammonium cerium (IV) nitrate; nitric acid / 24 h / 100 °C / Sealed tube 2.1: ethanol / 0.33 h / Sealed tube 2.2: 6 h / 60 °C / Sealed tube 2.3: 0 - 20 °C View Scheme

: 104-87-0
4-methyl-benzaldehyde

: 671-16-9
Procarbazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: dibromoisocyanuric acid / dichloromethane / 4 h / 20 °C 1.2: 0.17 h 2.1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 15 h / Reflux 2.2: 1 h / Reflux 3.1: ethanol / 0.33 h 3.2: 6 h / 60 °C 3.3: 0 - 20 °C View Scheme

: 671-16-9
Procarbazine

A: 13255-50-0
4-Formyl-benzoesaeure-isopropylamid

B: 144464-32-4
4-(N-Methyl-N-nitroso-hydrazonomethyl)-benzoesaeureisopropylamid

Conditions

Conditions	Yield
With sodium nitrite In water; acetic acid for 20h; Mechanism; reactions of phenelzin and endralazin under nitrosating conditions;	A 12% B 36%
With sodium nitrite In water; acetic acid for 20h;	A 12% B 36%
With acetic acid; sodium nitrite

: 671-16-9
Procarbazine

A: 20566-17-0
p-formyl-N-isopropylbenzamide methylhydrazone

B: 2235-59-8
azoprocarbazine

Conditions

Conditions	Yield
With 4-t-butyl-1,2-benzoquinone; oxygen; tyrosinase pH=6.8; aq. phosphate buffer; Enzymatic reaction;

: 1160-54-9
(2S)-1-(2-[[(benzyloxy)carbonyl]amino]acetyl)tetrahydro-1H-pyrrole-2-carboxylic acid

: 671-16-9
Procarbazine

A: C27H35N5O5

B: C27H35N5O5

Conditions

Conditions	Yield
Stage #1: (2S)-1-(2-[[(benzyloxy)carbonyl]amino]acetyl)tetrahydro-1H-pyrrole-2-carboxylic acid With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane for 0.5h; Stage #2: Procarbazine With N-ethyl-N,N-diisopropylamine In dichloromethane Overall yield = 69%; Overall yield = 690.1 mg;

Yield

Stage #1: (2S)-1-(2-[[(benzyloxy)carbonyl]amino]acetyl)tetrahydro-1H-pyrrole-2-carboxylic acid With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane for 0.5h;
Stage #2: Procarbazine With N-ethyl-N,N-diisopropylamine In dichloromethane Overall yield = 69%; Overall yield = 690.1 mg;

...Expand

Raw Materials

99-75-2

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Specification

Procarbazine(CAS NO.671-16-9) has the Synonyms of Procarbazine; N-(1-Methylethyl)-4-((2-methylhydrazino)methyl)benzamide; 1-Methyl-2-(p-(isopropylcarbamoyl)benzyl)hydrazine; 2-(P-Isopropylcarbamoylbenzyl)-1-methylhydrazine; 4-((2-Methylhydrazino)methyl)-N-isopropylbenzamide; Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]-; CB400-497; Ibenzmethyzin. It is an antineoplastic chemotherapy drug for the treatment of Hodgkin's lymphoma and certain brain cancers (such as Glioblastoma multiforme). It is a member of a group of medicines called alkylating agents. The drug is metabolized and activated in the liver. It also inhibits MAO thus increasing the effects of sympathomimetics, TCAs, and tyramine.

Physical properties about Procarbazine are: (1)ACD/LogP: 0.06; (2)ACD/LogD (pH 5.5): -2.34; (3)ACD/LogD (pH 7.4): -0.64; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 5.17; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.529; (12)Molar Refractivity: 65.839 cm³; (13)Molar Volume: 213.619 cm³; (14)Polarizability: 26.101 10-24cm³; (15)Surface Tension: 37.8580017089844 dyne/cm; (16)Density: 1.036 g/cm³; (17)Flash Point: 148.864 °C; (18)Enthalpy of Vaporization: 63.328 kJ/mol; (19)Boiling Point: 384.589 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);
(2)InChIKey=CPTBDICYNRMXFX-UHFFFAOYSA-N;
(3)Smilesc1(C(NC(C)C)=O)ccc(CNNC)cc1;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	614mg/kg (614mg/kg)	JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.
rat	LD50	intraperitoneal	> 400mg/kg (400mg/kg)	Advances in Teratology. Vol. 3, Pg. 181, 1968.
rat	LD50	unreported	350mg/kg (350mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 363, 1970.