Busulfan supplier | CasNO.55-98-1

Name
Busulfan
EINECS 200-250-2
CAS No. 55-98-1
Article Data23
CAS DataBase
Density 1.35 g/cm³
Solubility Decomposes in water
Melting Point 114-118 °C
Formula C₆H₁₄O₆S₂
Boiling Point 464 °C at 760 mmHg
Molecular Weight 246.306
Flash Point 234.4 °C
Transport Information UN 2811 6.1/PG 1
Appearance white crystalline solid
Safety 53-36/37/39-45-28A
Risk Codes 45-26/27/28-63-46-36/37/38-23/24/25
Molecular Structure
Hazard Symbols T+,T
Synonyms 1,4-Butanediol,dimethanesulfonate (8CI,9CI);Methanesulfonic acid, tetramethylene ester (6CI);1,4-Butanediol dimesylate;Busilvex;Busulphan;Citosulfan;GT 2041;GT 41;Glyzophrol;Leucosulfan;Mielevcin;Mielucin;Mileran;Misulban;Myeloleukon;Mylecytan;Sulfabutin;Tetramethylene bis[methanesulfonate];
PSA 103.50000
LogP 1.88060

Synthetic route

: 110-63-4
Butane-1,4-diol

: 3144-09-0
methanesulfonamide

: 55-98-1
busulfan

Conditions

Conditions	Yield
With triethylamine at 5 - 40℃; for 4h; Temperature;	91%

: 110-63-4
Butane-1,4-diol

: 124-63-0
methanesulfonyl chloride

: 55-98-1
busulfan

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 10 - 20℃; for 24h;	86%
With triethylamine In dichloromethane at 0 - 20℃; for 4h;	73.52%
With pyridine at 25℃; for 2h;	55%

: 109-99-9
tetrahydrofuran

: 41138-92-5
methanesulfonyl bromide

A: 110-52-1
1,4-dibromo-butane

B: 7239-41-0
4,4'-dibromo-di-n-butyl ether

C: 55-98-1
busulfan

D: 40671-33-8
1-bromo-4-methanesulfonyloxy-butane

Conditions

Conditions	Yield
zinc(II) chloride at 75℃; for 5h;

...Expand

: 40671-33-8
1-bromo-4-methanesulfonyloxy-butane

: 2386-52-9
silver methanesulfonate

: 55-98-1
busulfan

Conditions

Conditions	Yield
In acetonitrile for 5h; Heating;

: 110-63-4
Butane-1,4-diol

: 7143-01-3
Methanesulfonic anhydride

: 55-98-1
busulfan

: 18001-91-7
bistrimethyl(1,4-butanedioxy)silane

: 124-63-0
methanesulfonyl chloride

: 55-98-1
busulfan

Conditions

Conditions	Yield
With tin(IV) chloride at 80 - 100℃;

: 96042-30-7
4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran

: 124-63-0
methanesulfonyl chloride

: 55-98-1
busulfan

Conditions

Conditions	Yield
With triethylamine In water; ethyl acetate

: 55-98-1
busulfan

: 1182838-48-7
1,10-N,N'-bis-[cyclomaltoheptaosyl-6A-deoxy-6A-ureido]-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane

: 1182838-51-2
C6H14O6S2*C98H164N4O74

Conditions

Conditions	Yield
In water; dimethyl sulfoxide at 20℃; for 18h; Inert atmosphere;	100%

: 55-98-1
busulfan

: 1182838-47-6
1,10-N,N'-bis-(β-D-ureidocellobiosyl)-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane

: 1182838-49-8
C6H14O6S2*C38H68N4O26

Conditions

Conditions	Yield
In water; dimethyl sulfoxide at 20℃; for 18h; Inert atmosphere;	100%

: 55-98-1
busulfan

: 138566-17-3
2-(benzhydrylideneamino)-1-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01.5]dec-4-yl)ethanone

: C16H26N2O3S

Conditions

Conditions	Yield
Stage #1: 2-(benzhydrylideneamino)-1-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01.5]dec-4-yl)ethanone With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.333333h; Inert atmosphere; Stage #2: busulfan In tetrahydrofuran at -78℃; for 3.16667h;	83%

: 55-98-1
busulfan

: 10387-40-3
potassium thioacetate

: 6633-90-5
1,4-bis-acetylsulfanyl-butane

Conditions

Conditions	Yield
In acetone for 70h; Ambient temperature;	82%

: 55-98-1
busulfan

: 104-94-9
4-methoxy-aniline

: 54660-04-7
N-(4-methoxyphenyl)pyrrolidine

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 1h; Microwave irradiation;	81.3%

: 55-98-1
busulfan

: C116H146O24

: 42270-91-7
3-phenyl-3H-diazirine

: C120H152O24*C7H6N2

Conditions

Conditions	Yield
With caesium carbonate In N,N,N,N,N,N-hexamethylphosphoric triamide at 20℃; for 84h;	80.6%

...Expand

: 55-98-1
busulfan

: C116H130(2)H16O24

: 42270-91-7
3-phenyl-3H-diazirine

: C120H136(2)H16O24*C7H6N2

Conditions

Conditions	Yield
With caesium carbonate In N,N,N,N,N,N-hexamethylphosphoric triamide at 20℃; for 84h;	80%

...Expand

: 55-98-1
busulfan

: 62-53-3
aniline

: 4096-21-3
N-phenylpyrrolidine

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 1h; Microwave irradiation;	78.6%

: 64-17-5
ethanol

: 55-98-1
busulfan

: 201230-82-2
carbon monoxide

: 141-28-6
diethyl adipate

Conditions

Conditions	Yield
With sodium iodide; dicobalt octacarbonyl In various solvent(s) at 100℃; under 38000 Torr; for 24h;	78%

...Expand

: 55-98-1
busulfan

: 193282-97-2
C18H27N3O5

: 1610616-07-3
C23H37N3O8S

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 7h;	77%

: 55-98-1
busulfan

: 14268-66-7
benzo[1,3]dioxolo-5-ylamine

: 1-(3,4-methylenedioxyphenyl)pyrrolidine

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 1h; Microwave irradiation;	76.3%

: 55-98-1
busulfan

: 106-49-0
p-toluidine

: 54104-82-4
1-p-tolylpyrrolidine

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 1h; Microwave irradiation;	75.1%

: 55-98-1
busulfan

: 582-52-5
1,2:5,6-di-O-isopropylidene-α-D-glucofuranose

A: Methanesulfonic acid 4-[(3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yloxy]-butyl ester

B: 167535-48-0
1,4-bis<3-O-(1,2:5,6-di-O-isopropylidene-α-D-glucofuranos-3-yl)>butane

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide; toluene at 50℃; for 8h;	A 3.2% B 75%

...Expand

: 55-98-1
busulfan

: 106-47-8
4-chloro-aniline

: 4280-30-2
1-(4-chlorophenyl)pyrrolidine

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 1h; Microwave irradiation;	72.4%

: 55-98-1
busulfan

: 4064-06-6
1,2:3,4-di-O-isopropylidene-α-D-galactopyranose

A: Methanesulfonic acid 4-((3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b;4',5'-d]pyran-5-ylmethoxy)-butyl ester

B: 167535-76-4
1,4-bis<6-O-(1,2:3,4-di-O-isopropylidene-α-D-galactopyranos-6-yl)>butane

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide; toluene at 50℃; for 8h;	A 3.2 g B 72%

...Expand

: 55-98-1
busulfan

: 108-42-9
3-chloro-aniline

: N-(3-chlorophenyl)tetrahydropyrrole

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 1h; Microwave irradiation;	70.2%

: 55-98-1
busulfan

: 99-92-3
4-Aminoacetophenone

: 21557-09-5
N-(4-acetylphenyl)pyrrolidine

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 1h; Microwave irradiation;	65.5%

: 55-98-1
busulfan

: 95-51-2
2-Chloroaniline

: 105516-46-9
N-(2-chlorophenyl)tetrahydropyrrole

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 1h; Microwave irradiation;	64.7%

Busulfan Chemical Properties

Structure of Busulfan (CAS NO.55-98-1):

IUPAC Name: 4-methylsulfonyloxybutyl methanesulfonate
Molecular Formula: C₆H₁₄O₆S₂
Molar mass: 246.30176 g/mol
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 103.5Å²
Index of Refraction: 1.47
Molar Refractivity: 50.94 cm³
Molar Volume: 182.3 cm³
Surface Tension: 46.6 dyne/cm
Density: 1.35 g/cm³
Flash Point: 234.4 °C
Enthalpy of Vaporization: 69.75 kJ/mol
Boiling Point: 464 °C at 760 mmHg
Vapour Pressure: 2.41E-08 mmHg at 25°C
Appearance: White Crystalline Solid
Melting point: 114-118°C
Solubility: Solubility in acetone at 25 °C for 2.4g/100ml, in ethanol solubility for 0.1g/100ml, almost no smell.
Water solubility:Decomposes

Busulfan History

Busulfan was the mainstay of the chemotherapeutic treatment of Chronic Myeloid Leukemia (CML) until it was displaced by the new gold standard, Imatinib, though it is still in use to a degree as a result of the drug's relative inexpense.

Busulfan Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	56200ug/kg (56.2mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
dog	LDLo	intravenous	8mg/kg (8mg/kg)	BLOOD: LEUKOPENIA BLOOD: AGRANULOCYTOSIS BLOOD: OTHER CHANGES	Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 203, 1965.
man	TDLo	oral	8mg/kg/2D-I (8mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Lancet. Vol. 2, Pg. 1463, 1984.
monkey	LDLo	intravenous	8mg/kg (8mg/kg)	BLOOD: LEUKOPENIA BLOOD: OTHER CHANGES BLOOD: AGRANULOCYTOSIS	Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 203, 1965.
mouse	LD50	intraperitoneal	86mg/kg (86mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 1894, 1971.
mouse	LD50	oral	110mg/kg (110mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 1894, 1971.
mouse	LD50	subcutaneous	63mg/kg (63mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 1894, 1971.
mouse	LD50	unreported	46mg/kg (46mg/kg)		British Journal of Cancer. Vol. 6, Pg. 160, 1952.
rat	LD50	intraperitoneal	18mg/kg (18mg/kg)	GASTROINTESTINAL: OTHER CHANGES BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE	Biochemical Pharmacology. Vol. 1, Pg. 39, 1958.
rat	LD50	intravenous	1800ug/kg (1.8mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1467, 1970.
rat	LD50	subcutaneous	22mg/kg (22mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 1894, 1971.
rat	LD50	unreported	10mg/kg (10mg/kg)		Chemical Abstracts. Vol. 55, Pg. 10679a, 1961.
rat	LDLo	oral	15mg/kg (15mg/kg)		Khimiya i Meditsina. Vol. 13, Pg. 34, 1960.
women	TDLo	oral	80mg/kg/8Y (80mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	JAMA, Journal of the American Medical Association. Vol. 238, Pg. 1951, 1977.

Busulfan Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 1 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 137.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 4 (1974),p. 247.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 4 (1974),p. 247.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.

Busulfan Safety Profile

Confirmed carcinogen producing leukemia, kidney, and uterine tumors. Experimental neoplastigenic and tumorigenic data. Poison by ingestion, subcutaneous, intraperitoneal, intravenous, and possibly other routes. Ingestion by pregnant women can cause cancer of the reproductive system of the fetus including the uterus. Human teratogenic effects by ingestion and possibly other routes include developmental abnormalities of the eye, ear, craniofacial area including the nose and tongue, gastrointestinal system, endocrine system, urogenital system, and other unspecified areas. Other human reproductive effects by ingestion and possibly other routes include: impotence, changes in the uterus, cervix, and vagina, and menstrual-cycle disorders. Experimental reproductive effects. Human systemic effects by ingestion: general arteriolar or venous dilation of the eye, changes in structure or function of salivary glands. When heated to decomposition it emits toxic fumes of SO_x. See also Hazard SULFONATES.
Codes: T+,T
Risk Statements:
23: Toxic by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
26: Very Toxic by inhalation
27: Very Toxic in contact with skin
28: Very Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
45: May cause cancer
46: May cause heritable genetic damage
63: Possible risk of harm to the unborn child
Safety Statements:
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
63: In case of accident by inhalation, remove casualty to fresh air and keep at rest
RIDADR: UN 2811 6.1/PG 1
WGK Germany: 3
RTECS: EK1750000
HazardClass: 6.1(b)
PackingGroup: III

Busulfan Specification

Busulfan , with CAS number of 55-98-1, can be called 1,4-Bis(methyl sulfonoxy)butane;busulphan ; 1,4-dimethanesulfonoxybutane ; 1,4-Butanediol dimethyl sulfonate; busulfex ; tetramethylene bis(methanesulfonate) . It is a white crystalline solid, Busulfan (CAS NO.55-98-1) can be used as alkylating agent with antileukemic activity. It can be used for antineoplastic.

Product Name

Busulfan

Synthetic route

Busulfan Chemical Properties

Busulfan History

Busulfan Toxicity Data With Reference

Busulfan Consensus Reports

Busulfan Safety Profile

Busulfan Specification

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