136399-10-5|1-Iodo-3-methylbicyclo[1.1.1]pentane| Ambeed

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

CAS No. :	136399-10-5
Formula :	C₆H₉I
M.W :	208.04
SMILES Code :	CC12CC(C2)(I)C1
MDL No. :	MFCD30802633
InChI Key :	KKJUVXJKGMIUEC-UHFFFAOYSA-N
Pubchem ID :	14786155

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H225-H314
Precautionary Statements:	P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501
Class:	8(3)
UN#:	2920
Packing Group:	Ⅱ

Yield	Reaction Conditions	Operation in experiment
88%		[ 0185] 5-1 (0.940 g, 4.52 mmol) was dissolved in anhydrous Et2() (15.1 mL) and cooled to -78 C. A solution of tert-butyllittrium (5.7M in pentane, 0.637 g, 9.94 mmol, 5.85 mL) was added dropwise, a d the solution was stirred at -78 C for 1 h. After 1 h, CCb was bubbled through the solution for 10 mins, and the reaction was allowed to warm to ri Diethyl ether (10 mL) was added, and the mixture was extracted with H2O (3 x 20 mL). The combined aqueous layers were acidified with 1M HQ, and then extracted with Et2.0 (3 x 20 mL). The combined organics were dried (MgS04) and concentrated under reduced pressure to afford 5-2 (0.501 g, 88%) as a white solid, which was carried forward without further purification.JH NMR (400 MHz, DMSO-de) δ 52.1 1 (br s, COO//. 1 H), 1 .82 (s, 6 }. 1.14 (s, 3 H).
50.9%		To a solution of l-iodo-3-methylbicyclo[l .l . l]pentane (1.62 g, 7.79 mmol; prepared according to Eur. J.Org. Chem. 1137-1155 (2000)) in diethyl ether (26 mL), a solution of tert-butyllithium- 184 -ATI-2514175vl (9.16 mL, 15.57 mmol, 1.7 M in pentane) was added over a period of 40 min at -78 C. After stirring the reaction mixture for 1 h at this temperature, carbon dioxide gas was bubbled through the reaction mixture for 5 min and then the mixture was allowed to warm to room temperature. The reaction mixture was extracted twice with a 5% aqueous sodium bicarbonate solution. The combined aqueous phases were acidified to pH 2- 3 with concentrated hydrochloric acid at 0 C, saturated with sodium chloride, and extracted with diethyl ether. The combined organic phases were dried and, after evaporation of the solvent under reduced pressure, purified by column chromatography (0-20% ethyl acetate in hexanes) to afford 3-methylbicyclo[l . l .l]pentane-l-carboxylic acid (0.5 g, 3.96 mmol, 50.9 % yield); 1H NMR (400 MHz, DMSO-d6) δ ppm 12.21 (s, 1 H), 1.82 (s, 6 H), 1.14 (s, 3 H).

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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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Disposal
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CAS No.: 136399-10-5

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CAS No.: 136399-10-5

Alternative Products

Product Details of [ 136399-10-5 ]

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Application In Synthesis of [ 136399-10-5 ]

[ 136399-10-5 ] Synthesis Path-Downstream 1~2

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed