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. :	1007121-72-3
Formula :	C₁₁H₁₃NO₅S
M.W :	271.29
SMILES Code :	C[C@@H]1N(C(OCC2=CC=CC=C2)=O)S(OC1)(=O)=O
English Name :	(S)-3-Cbz-4-methyl-1,2,3-oxathiazolidine 2,2-dioxide
MDL No. :	MFCD31568494

GHS Pictogram:
Signal Word:
Hazard Statements:
Precautionary Statements:
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Packing Group:

Yield	Reaction Conditions	Operation in experiment
63%	Stage #1: (S)-(-)-N-(benzyloxycarbonyl)alaninol With thionyl chloride In acetonitrile at -40℃; for 0.0166667h; Stage #2: With pyridine In acetonitrile at 20℃; for 1h; Stage #3: With sodium periodate; water In acetonitrile Further stages.;
84 %	Stage #1: (S)-(-)-N-(benzyloxycarbonyl)alaninol With 1H-imidazole; thionyl chloride; triethylamine In dichloromethane at -35 - -30℃; Inert atmosphere; Stage #2: With ruthenium trichloride; sodium periodate In water; acetonitrile at 0℃;	1,2 Step 2: Two-step/one-pot cyclization/oxidation to form benzyl (5)-4-methyl- 1,2,3- oxathiazolidine-3-carboxylate 2,2-dioxide ((S)-1’)· To a 400 mL Easy Max Reactor equipped with an overhead mechanical stirrer, thermocouple, and N2 inlet was added imidazole (32.54 g, 477.9 mmol, 4.0 equiv.), DCM (100 mL, 4 vol.), and NEt3 (37 mL, 262.8 mmol, 2.2 equiv.). The vessel was purged with N2 for 30 min and cooled to an internal temperature of -35 °C. To the stirring suspension was added a solution of thionyl chloride (9.5 mL, 131.4 mmol, 1.1 equiv.) in DCM (50 mL, 2 vol.) over 2 h, via syringe pump, and allowed to stir for an additional 15 min. To the resultant suspension was added a solution of benzyl (S)-(l-hydroxypropan-2-yl)carbamate ((S)-1.2’) (25.00 g, 119.5 mmol, 1.0 equiv.) in DCM (100 mL, 4 vol.) over 1 h, via syringe pump. The reaction was warmed to -30 °C and allowed to stir for 15 h. Upon reaction completion, as determined by consumption of 2 by HPLC and 1 H NMR, the reaction was warmed to 0 °C over 2 h. The reaction was washed with H2O (2 x 10 vol.) and the organic fraction was concentrated under reduced pressure. The crude oil was reconstituted in MeCN (100 mL, 4 vol.) and H2O (125 mL, (0092) 5 vol.) then cooled to an internal temperature of 0 °C. To the stirring solution was added NalCL (28.11 g, 131.4 mmol, 1.1 equiv.) followed by RuCl3 (25 mg, 0.12 mmol, 0.001 equiv.) and the solution was agitated for 3 h at 0 °C. Upon reaction completion, as determined by consumption of the intermediate sulfamidite by HPLC and 1 H NMR, the reaction was treated with a pH = 7 K2RO4/KOH buffer (aq) (250 mL, 10 vol.) and PhMe (100 mL, 4 vol.). The MeCN was removed under reduced pressure and the organic and aqueous fractions were separated. The aqueous fraction (pH = 7) was extracted further with IP Ac (2 x 4 vol.), and the combined organic layers were concentrated under reduced pressure to an estimated 50 mL (~2 V). The solution was warmed to 45 °C and seeded with authentic (S )-3-Cbz-4-methyl- 1 ,2,3-oxathiazolidine 2,2- dioxide 3. To the stirring suspension was added n -heptane (250 mL, 10 vol.) dropwise over 1 h to provide a white slurry. The suspension was cooled and allowed to stir at 20 °C for 1 h, gradually cooled to -20 °C over 2 h, then stirred for an additional 15 h. The slurry was filtered, and the solids were washed with n-heptane (4 vol.)· The collected solids were dried under reduced pressure at 20 °C to provide benzyl (S)-3-Cbz-4-methyl-l,2,3-oxathiazolidine 2,2- dioxide ((S)-1’) as a white solid (27.17 g, 84% yield). 1 H NMR (400 MHz, Acetonitrile-d3) d 7.48 - 7.34 (m, 5H), 5.36 - 5.23 (m, 2H), 4.72 (dd, J = 9.4, 5.8 Hz, 1H), 4.56 - 4.45 (m, 1H), 4.35 (dd, J = 9.4, 2.3 Hz, 1H), 1.44 (d, J = 6.4 Hz, 3H), as shown in FIG. 9. 13C NMR (101 MHz, Acetonitrile-ds) d 150.70, 136.16, 129.65, 129.61, 129.13, 73.69, 69.91, 55.70, 18.41, as shown in FIG. 10.
84 %	Stage #1: (S)-(-)-N-(benzyloxycarbonyl)alaninol With 1H-imidazole; thionyl chloride; triethylamine In dichloromethane at -35 - -30℃; Inert atmosphere; Stage #2: With ruthenium trichloride; sodium periodate In water; acetonitrile at 0℃;	1,2 Step 2: Two-step/one-pot cyclization/oxidation to form benzyl (5)-4-methyl- 1,2,3- oxathiazolidine-3-carboxylate 2,2-dioxide ((S)-1’)· To a 400 mL Easy Max Reactor equipped with an overhead mechanical stirrer, thermocouple, and N2 inlet was added imidazole (32.54 g, 477.9 mmol, 4.0 equiv.), DCM (100 mL, 4 vol.), and NEt3 (37 mL, 262.8 mmol, 2.2 equiv.). The vessel was purged with N2 for 30 min and cooled to an internal temperature of -35 °C. To the stirring suspension was added a solution of thionyl chloride (9.5 mL, 131.4 mmol, 1.1 equiv.) in DCM (50 mL, 2 vol.) over 2 h, via syringe pump, and allowed to stir for an additional 15 min. To the resultant suspension was added a solution of benzyl (S)-(l-hydroxypropan-2-yl)carbamate ((S)-1.2’) (25.00 g, 119.5 mmol, 1.0 equiv.) in DCM (100 mL, 4 vol.) over 1 h, via syringe pump. The reaction was warmed to -30 °C and allowed to stir for 15 h. Upon reaction completion, as determined by consumption of 2 by HPLC and 1 H NMR, the reaction was warmed to 0 °C over 2 h. The reaction was washed with H2O (2 x 10 vol.) and the organic fraction was concentrated under reduced pressure. The crude oil was reconstituted in MeCN (100 mL, 4 vol.) and H2O (125 mL, (0092) 5 vol.) then cooled to an internal temperature of 0 °C. To the stirring solution was added NalCL (28.11 g, 131.4 mmol, 1.1 equiv.) followed by RuCl3 (25 mg, 0.12 mmol, 0.001 equiv.) and the solution was agitated for 3 h at 0 °C. Upon reaction completion, as determined by consumption of the intermediate sulfamidite by HPLC and 1 H NMR, the reaction was treated with a pH = 7 K2RO4/KOH buffer (aq) (250 mL, 10 vol.) and PhMe (100 mL, 4 vol.). The MeCN was removed under reduced pressure and the organic and aqueous fractions were separated. The aqueous fraction (pH = 7) was extracted further with IP Ac (2 x 4 vol.), and the combined organic layers were concentrated under reduced pressure to an estimated 50 mL (~2 V). The solution was warmed to 45 °C and seeded with authentic (S )-3-Cbz-4-methyl- 1 ,2,3-oxathiazolidine 2,2- dioxide 3. To the stirring suspension was added n -heptane (250 mL, 10 vol.) dropwise over 1 h to provide a white slurry. The suspension was cooled and allowed to stir at 20 °C for 1 h, gradually cooled to -20 °C over 2 h, then stirred for an additional 15 h. The slurry was filtered, and the solids were washed with n-heptane (4 vol.)· The collected solids were dried under reduced pressure at 20 °C to provide benzyl (S)-3-Cbz-4-methyl-l,2,3-oxathiazolidine 2,2- dioxide ((S)-1’) as a white solid (27.17 g, 84% yield). 1 H NMR (400 MHz, Acetonitrile-d3) d 7.48 - 7.34 (m, 5H), 5.36 - 5.23 (m, 2H), 4.72 (dd, J = 9.4, 5.8 Hz, 1H), 4.56 - 4.45 (m, 1H), 4.35 (dd, J = 9.4, 2.3 Hz, 1H), 1.44 (d, J = 6.4 Hz, 3H), as shown in FIG. 9. 13C NMR (101 MHz, Acetonitrile-ds) d 150.70, 136.16, 129.65, 129.61, 129.13, 73.69, 69.91, 55.70, 18.41, as shown in FIG. 10.

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
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P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
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Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
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P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
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P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
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P333	If skin irritation or rash occurs:
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P337	If eye irritation persists:
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P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
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P401
P402	Store in a dry place.
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P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
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P422
P402 + P404	Store in a dry place. Store in a closed container.
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P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 1007121-72-3

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CAS No.: 1007121-72-3

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Product Details of [ 1007121-72-3 ]

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Application In Synthesis of [ 1007121-72-3 ]

[ 1007121-72-3 ] Synthesis Path-Downstream 1~1

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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