(S,E)-5-((苄氧基)亚氨基)-2-((叔丁氧羰基)氨基)-6-氯己酸乙酯

(S,E)-5-((苄氧基)亚氨基)-2-((叔丁氧羰基)氨基)-6-氯己酸乙酯 - Names and Identifiers

Name	(S)-ethyl 4-(chloromethyl)-11,11-dimethyl-9-oxo-1-phenyl-2,10-dioxa-3,8-diazadodec-3-ene-7-carboxylate
Synonyms	(S,E)-ethyl 5-((benzyloxy)imino)-2-((tert-butoxycarbonyl)amino)-6-chlorohexanoate (S)-ethyl 4-(chloromethyl)-11,11-dimethyl-9-oxo-1-phenyl-2,10-dioxa-3,8-diazadodec-3-ene-7-carboxylate
CAS	1416134-59-2

(S,E)-5-((苄氧基)亚氨基)-2-((叔丁氧羰基)氨基)-6-氯己酸乙酯 - Physico-chemical Properties

Molecular Formula	C20H29ClN2O5
Molar Mass	412.91

(S,E)-5-((苄氧基)亚氨基)-2-((叔丁氧羰基)氨基)-6-氯己酸乙酯 - Upstream Downstream Industry

Downstream Products

Avibactam INT 1
AvibactaM

(S,E)-5-((苄氧基)亚氨基)-2-((叔丁氧羰基)氨基)-6-氯己酸乙酯 - Introduction

1. Nature:
-Appearance: a solid powder
-Melting point: About 106-110 ° C
-Solubility: It has good solubility in many solvents, such as acetone, methanol and dichloromethane.

2. Use:
-Drug synthesis: The compound can be used to synthesize molecules with pharmaceutical activity, such as anti-tumor drugs and new anti-cancer drugs.

3. Preparation method:
(S)-ethyl 4-(chlorometyl)-11,11-dimethyl-9-oxo-1-phenyl-2,10-dioxa-3, can be synthesized by the following steps:
-Step 1: Add tert-butoxycarbonyl isocyanate (TBOSCI) and p-dimethylaniline (p-Me2NC6H4NH2) to acetone, and react under solvent-free conditions to generate (TBOC)2-epoxy amine.
-Step 2: The (TBOC) 2-epoxyamine obtained in Step 1 and ethyl 3-chlorohexanoate are reacted in the presence of sodium carbonate to produce an imino Ester intermediate.
-Step 3: The imino Ester is converted into the corresponding carboxylic acid derivative by a base-catalyzed N-aryl imide (FALLS) reaction.
-Step 4: Finally, through the reaction with tert-butyl tetrafluoroborate, the carboxylic acid derivative is converted into (S)-ethyl 4-(chlorometyl)-11,11-dimethyl-9-oxo-1-phenyl-2,10-dioxa-3, and.

4. Safety Information:
-Safety: The compound needs to be handled carefully to avoid contact with skin and eyes. Appropriate laboratory procedures and personal protective measures should be followed during use.
-Toxicity: There are currently limited data on the toxicity of (S)-ethyl 4-(chloromethyl)-11,11-dimethyl-9-oxo-1-phenyl-2,10-dioxa-3, further toxicological studies are therefore needed to assess its safety.

Please note that for any chemical substance, safe handling and proper protective measures are very important. Relevant safety guidelines and regulations should always be followed when using or handling this compound.

Last Update：2024-04-09 21:00:56